CAS: 864953-29-7; (3-(2-(4-Benzoylpiperazin-1-yl)-2-Oxoacetyl)-4-Methoxy-7-(3-Methyl-1H-1,2,4-Triazol-1-yl)-1H-Pyrrolo[2,3-C]Pyridin-1-yl)Methyl Dihydrogen Phosphate

该化合物是抗逆转录病毒药物的抗逆转录病毒药物,被归类为HIV-1附加抑制剂,其目标为病毒信封上的gp120蛋白质,防止HIV-1对CD4+T细胞的宿主具有约束力,这一机制有别于其他抗逆转录病毒疗法,它使具有大量治疗经验,具有多种抗药性艾滋病毒-1感染的成年人可以选择使用这一机制,Fostemsavir是口服的,通常与其他抗逆转录病毒药物结合使用,其关键优势在于它有能力抑制病毒复制,如果对其他疗法的抗药性有所发展,临床研究已经证明它能够有效减少病毒负荷,改善抗药性人群的CD4+细胞计数.

英文名称(3-(2-(4-Benzoylpiperazin-1-yl)-2-Oxoacetyl)-4-Methoxy-7-(3-Methyl-1H-1,2,4-Triazol-1-yl)-1H-Pyrrolo[2,3-C]Pyridin-1-yl)Methyl Dihydrogen Phosphate
中文名称(3-(2-(4-苯甲酰哌嗪-1-基)-2-氧代)-4-甲氧基-7-(3-甲基-1H-1,2,4-三唑-1-基)-1H-B[2,3-C]吡啶-1-基)甲基N磷酸酯
IUPAC名称(3-(2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl)methyl dihydrogen phosphate
CAS编号864953-29-7
MFCD编号:MFCD23098796
FDA UNII编号:97IQ273H4L
分子式:C25H26N7O8P分子量:583.5
产品CID: 1867154
同类组份化合物CAS864953-29-7(free base)942117-71-7 (dihydrate)864953-31-1 (disodium)864953-39-9 (tromethamine)
产品分类原料药 → 人工合成抗感染类药 → 抗病毒类药

相似结构搜索
InChIKey: SWMDAPWAQQTBOG-UHFFFAOYSA-N
SWMDAPWAQQTBOG-UHFFFAOYSA-N
计算化学: 氢键受体数15.0氢键供体数2.0可旋转键数10.0

物理性质

沸点904.1±75.0 °C(预测)
密度1.60±0.1 g/cm3(预测)
pKa:1.39±0.10(预测)
LogP:-0.1
溶解性Soluble In DMSO
外观形态白色至类白色粉末
储存条件储存在 -20°C
产品应用该化合物用作治疗艾滋病毒-1感染的抗病毒药物,特别是在抗多种药物的艾滋病毒-1患者中;它通过有选择地阻止HIV-1 GP120和CD4主机CD4+T细胞接收器之间的互动,从而防止病毒进入,从而起到艾滋病毒附加抑制作用.

MSDS等安全信息

警示词Warning
危险描述H302-H315-H319-
防范说明P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P501-

合成工艺路线路线简述

701213-36-7 + 229625-50-7 = 864953-29-7 [标题:Reaction Conditions
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

= 864953-29-7 [标题:Reaction Conditions
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

1392514-37-2 = 864953-29-7
反应条件:1.1 Reagents: Chlorine Solvents: Dichloromethane; 1 H,< 0 °C; 1 H,< 0 °C2.1 -3.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 40 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

56227-55-5 = 864953-29-7
反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole,Diisopropylethylamine Solvents: Dichloromethane; 0 - 25 °C1.2 -2.1 -
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 6. Friedel-Crafts Acylation/hydrolysis And Amidation
作者:Zheng,Bin; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1145-1155]

56227-55-5 + 954215-12-4 = 864953-29-7
反应条件:1.1 Reagents: 4-Methylmorpholine Solvents: N-Methyl-2-Pyrrolidone; 1 H,20 - 25 °C; 25 °C -> 5 °C1.2 Reagents: Diphenylphosphinic Chloride Solvents: N-Methyl-2-Pyrrolidone; 2 - 3 H,< 15 °C2.1 -
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 6. Friedel-Crafts Acylation/hydrolysis And Amidation
作者:Zheng,Bin; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1145-1155]

1392514-36-1 = 864953-29-7
反应条件:1.1 -2.1 Reagents: Chlorine Solvents: Dichloromethane3.1 -
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

77-86-1 + 864953-38-8 = 864953-29-7 + 77-86-1
反应条件:1.1 Catalysts: Acetic Acid Solvents: Acetone,Water; Rt -> 34 °C; 11 H,34 °C; 34 °C -> 20 °C; 0.5 - 1.5 H,20 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 9. Active Pharmaceutical Ingredient Process Development And Powder Properties
作者:La Cruz,Thomas E.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1174-1185]

229625-50-7 + 1449413-05-1 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C2.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

= 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Lithium Bromide2.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C3.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

593-71-5 + 33494-80-3 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Chlorosulfonic Acid1.2 -2.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C3.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

13754-38-6 + 954215-12-4 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Acetonitrile2.1 Reagents: Potassium Hydroxide,Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Catalysts: Cuprous Iodide Solvents: Acetonitrile,Water; 12 H,78 °C2.2 Reagents: Lithium Bromide3.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C4.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

56227-55-5 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dimethylformamide; Rt -> 10 °C; 3 H,10 °C1.2 10 °C; 2 H,10 °C -> 25 °C1.3 Solvents: Water; 25 °C -> 40 °C2.1 Reagents: Potassium Hydroxide Catalysts: Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Solvents: Acetonitrile,Water; 1 H,20 °C2.2 Catalysts: Cuprous Iodide; 18 H,20 °C -> 75 °C3.1 Reagents: Tetraethylammonium Iodide,Tripotassium Phosphate Solvents: Acetonitrile,Dichloromethane; 21 H,40 - 45 °C4.1 Solvents: Acetone,Water
标题:Synthesis Of The 6-Azaindole Containing Hiv-1 Attachment Inhibitor Pro-Drug,Bms-663068
作者:Chen,Ke; Et Al
参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(18) 页码:8757-8767]

= 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Potassium Iodide,Phosphorus Trichloride,Hydrogen Peroxide1.2 -2.1 Reagents: Chlorosulfonic Acid2.2 -3.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C4.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

5781-53-3 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane,Nitromethane; 20 Min,0 °C1.2 5 H,0 °C1.3 Reagents: Sodium Hydroxide Solvents: Water1.4 Reagents: Hydrogen Bromide Solvents: Water; 45 °C; 3 H,45 °C -> 21 °C2.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dimethylformamide; Rt -> 10 °C; 3 H,10 °C2.2 10 °C; 2 H,10 °C -> 25 °C2.3 Solvents: Water; 25 °C -> 40 °C3.1 Reagents: Potassium Hydroxide Catalysts: Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Solvents: Acetonitrile,Water; 1 H,20 °C3.2 Catalysts: Cuprous Iodide; 18 H,20 °C -> 75 °C4.1 Reagents: Tetraethylammonium Iodide,Tripotassium Phosphate Solvents: Acetonitrile,Dichloromethane; 21 H,40 - 45 °C5.1 Solvents: Acetone,Water
标题:Synthesis Of The 6-Azaindole Containing Hiv-1 Attachment Inhibitor Pro-Drug,Bms-663068
作者:Chen,Ke; Et Al
参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(18) 页码:8757-8767]

619331-35-0 + 5781-53-3 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane,Nitromethane; 0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 20 °C2.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Acetonitrile3.1 Reagents: Potassium Hydroxide,Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Catalysts: Cuprous Iodide Solvents: Acetonitrile,Water; 12 H,78 °C3.2 Reagents: Lithium Bromide4.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C5.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

1421517-98-7 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Tripotassium Phosphate,Phosphorus(1+),Bromotri-1-Pyrrolidinyl-,(T-4)-,Hexafluorophosphate(1-) (1:1) Solvents: (Trifluoromethyl)Benzene; 3 H,20 °C; 2 H,50 °C1.2 Reagents: Sodium Hydroxide Solvents: Isopropanol; 80 °C2.1 Reagents: Aluminum Chloride Solvents: Dichloromethane,Nitromethane; 0 °C2.2 Reagents: Sodium Hydroxide Solvents: Water; 20 °C3.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Acetonitrile4.1 Reagents: Potassium Hydroxide,Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Catalysts: Cuprous Iodide Solvents: Acetonitrile,Water; 12 H,78 °C4.2 Reagents: Lithium Bromide5.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C6.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

1627136-94-0 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Cumene Hydroperoxide,Methanesulfonyl Chloride Solvents: Methanol; 2 H,30 °C; 30 °C -> 20 °C1.2 Reagents: Triethylamine; 30 Min,20 °C1.3 Reagents: Sodium Thiosulfate Solvents: Water; 2 H,20 °C2.1 Reagents: Hydrogen Peroxide Catalysts: Methyltrioxorhenium Solvents: Dichloromethane,Water; 24 H,25 °C; 25 °C -> 0 °C2.2 Reagents: Disodium Sulfide Solvents: Water; 0 °C2.3 Reagents: Tripotassium Phosphate,Phosphorus(1+),Bromotri-1-Pyrrolidinyl-,(T-4)-,Hexafluorophosphate(1-) (1:1) Solvents: (Trifluoromethyl)Benzene; 3 H,20 °C; 20 °C -> 50 °C; 2 H,50 °C2.4 Reagents: Sodium Hydroxide Solvents: Isopropanol; 50 °C -> 80 °C; 12 H,80 °C2.5 Reagents: Hydrochloric Acid Solvents: Isopropanol; 30 Min,50 °C; 2 H,50 °C -> 5 °C3.1 Reagents: Aluminum Chloride Solvents: Dichloromethane,Nitromethane; 20 Min,0 °C3.2 5 H,0 °C3.3 Reagents: Sodium Hydroxide Solvents: Water3.4 Reagents: Hydrogen Bromide Solvents: Water; 45 °C; 3 H,45 °C -> 21 °C4.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dimethylformamide; Rt -> 10 °C; 3 H,10 °C4.2 10 °C; 2 H,10 °C -> 25 °C4.3 Solvents: Water; 25 °C -> 40 °C5.1 Reagents: Potassium Hydroxide Catalysts: Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Solvents: Acetonitrile,Water; 1 H,20 °C5.2 Catalysts: Cuprous Iodide; 18 H,20 °C -> 75 °C6.1 Reagents: Tetraethylammonium Iodide,Tripotassium Phosphate Solvents: Acetonitrile,Dichloromethane; 21 H,40 - 45 °C7.1 Solvents: Acetone,Water
标题:Synthesis Of The 6-Azaindole Containing Hiv-1 Attachment Inhibitor Pro-Drug,Bms-663068
作者:Chen,Ke; Et Al
参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(18) 页码:8757-8767]

864953-38-8 = 864953-29-7
反应条件:1.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 50 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

864953-38-8 = 864953-29-7
反应条件:1.1 Solvents: Acetone,Water; 18 - 24 H,40 °C
标题:Discovery Of The Human Immunodeficiency Virus Type 1 (Hiv-1) Attachment Inhibitor Temsavir And Its Phosphonooxymethyl Prodrug Fostemsavir
作者:Wang,Tao; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2018 卷标:61(14) 页码:6308-6327]

701213-36-7 + 229625-50-7 = 864953-29-7
反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Potassium Iodide Solvents: N-Methyl-2-Pyrrolidone; Rt1.2 Rt; 16 - 24 H,30 °C2.1 Solvents: Acetone,Water; 18 - 24 H,40 °C
标题:Discovery Of The Human Immunodeficiency Virus Type 1 (Hiv-1) Attachment Inhibitor Temsavir And Its Phosphonooxymethyl Prodrug Fostemsavir
作者:Wang,Tao; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2018 卷标:61(14) 页码:6308-6327]

1449413-23-3 = 864953-29-7 [标题:Reaction Conditions
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 6. Friedel-Crafts Acylation/hydrolysis And Amidation
作者:Zheng,Bin; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1145-1155]

= 864953-29-7 [标题:Reaction Conditions
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 9. Active Pharmaceutical Ingredient Process Development And Powder Properties
作者:La Cruz,Thomas E.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1174-1185]

33494-80-3 + 1392514-37-2 = 864953-29-7
反应条件:1.1 Reagents: Chlorine Solvents: Dichloromethane,Water; 1 H,< 0 °C; 1 H,< 0 °C1.2 Solvents: Isopropanol; 0 °C -> 25 °C; 16 H,20 - 25 °C; 20 °C -> 5 °C1.3 Reagents: Tetraethylammonium Bromide Solvents: Dichloromethane; 1 H,35 °C; 35 °C -> 40 °C; 3 H,40 °C2.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 50 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

1392514-37-2 = 864953-29-7
反应条件:1.1 Reagents: Chlorine Solvents: Dichloromethane2.1 -
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

33494-80-3 = 864953-29-7
反应条件:1.1 -2.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 40 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

33494-80-3 = 864953-29-7
反应条件:1.1 Reagents: Tetraethylammonium Bromide Solvents: Dichloromethane; 1 H,35 °C; 35 °C -> Reflux2.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 40 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

33494-80-3 = 864953-29-7
反应条件:1.1 -2.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 40 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

33494-80-3 + 2149042-53-3 = 864953-29-7
反应条件:1.1 Reagents: 2-Bromo-1,3,2-Benzodioxaborole Solvents: Dichloromethane1.2 -2.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 50 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

593-71-5 + 33494-80-3 = 864953-29-7
反应条件:1.1 Reagents: Chlorosulfonic Acid1.2 -2.1 -
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

1392514-36-1 + 13754-38-6 = 864953-29-7
反应条件:1.1 Reagents: Titanium Tetrabutoxide Solvents: Toluene; 25 °C -> 85 °C; 12 H,85 °C; 4 H,85 °C -> 50 °C; 8 H,50 °C; 6 H,50 °C -> 20 °C; 10 H,20 °C2.1 Reagents: Chlorine Solvents: Dichloromethane,Water; 1 H,< 0 °C; 1 H,< 0 °C2.2 Solvents: Isopropanol; 0 °C -> 25 °C; 16 H,20 - 25 °C; 20 °C -> 5 °C2.3 Reagents: Tetraethylammonium Bromide Solvents: Dichloromethane; 1 H,35 °C; 35 °C -> 40 °C; 3 H,40 °C3.1 Reagents: Tris(Hydroxymethyl)Aminomethane Solvents: Acetone,Water; 50 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 1. Evolution Of Enabling Strategies
作者:Fox,Richard J.; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1095-1109]

77-86-1 + 864953-38-8 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121]

77-86-1 + 864953-38-8 = 864953-29-7 + 77-86-1
反应条件:1.1 Solvents: Acetone,Water
标题:Synthesis Of The 6-Azaindole Containing Hiv-1 Attachment Inhibitor Pro-Drug,Bms-663068
作者:Chen,Ke; Et Al
参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(18) 页码:8757-8767]

229625-50-7 + 1449413-05-1 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Tetraethylammonium Iodide,Tripotassium Phosphate Solvents: Acetonitrile,Dichloromethane; 21 H,40 - 45 °C2.1 Solvents: Acetone,Water
标题:Synthesis Of The 6-Azaindole Containing Hiv-1 Attachment Inhibitor Pro-Drug,Bms-663068
作者:Chen,Ke; Et Al
参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(18) 页码:8757-8767]

7170-01-6 + 1449413-23-3 = 864953-29-7 + 77-86-1
反应条件:1.1 Reagents: Potassium Hydroxide,Trans-N,N′-Dimethyl-1,2-Cyclohexanediamine Catalysts: Cuprous Iodide Solvents: Acetonitrile,Water; 12 H,78 °C1.2 Reagents: Lithium Bromide2.1 Reagents: Tripotassium Phosphate Catalysts: Tetraethylammonium Iodide Solvents: Acetonitrile; 45 °C3.1 Reagents: Acetic Acid Solvents: Acetone,Water; 35 °C
标题:Preparation Of The Hiv Attachment Inhibitor Bms-663068. Part 2. Strategic Selections In The Transition From An Enabling Route To A Commercial Synthesis
作者:Chen,Ke; Et Al
参考文献:Organic Process Research & Development 日期:2017 卷标:21(8) 页码:1110-1121

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1: Grasa C, Salvadori N, Nardone A, Than-In-At K, Koblansky A, Parry C, Thakkar N, Wang M, Giaquinto C, Rojo P, Cressey TR. SHIELD study: a multicenter, open- label, single-arm trial to evaluate the safety, pharmacokinetics and antiviral activity of fostemsavir in combination with optimized background therapy (OBT) in children and adolescents with HIV who are failing their current combination antiretroviral therapy (cART) and have dual- or triple-class antiretroviral (ARV) resistance. BMC Infect Dis. 2026 Feb 24. doi: 10.1186/s12879-026-12806-9. Epub ahead of print.
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7: Lazzari E, Rozera G, Gagliardini R, Mazzotta V, Fabeni L, Forbici F, Berno G, Cosentino C, Girardi E, Antinori A, Maggi F, Abbate I. Investigation of Natural Resistance to Fostemsavir and Lenacapavir in Naïve Primary Infections by Ultra- Deep Sequencing of near Full-Length HIV-1 Genomes. Viruses. 2025 Apr 28;17(5):636. doi: 10.3390/v17050636.

合成参考文献

参考文献:10.1177/2168479017750129
摘要:Baldrick P. Juvenile Animal Testing: Assessing Need and Use in the Drug Product Label. Ther Innov Regul Sci. 2018 Sep;52(5):641–8. doi: 10.1177/2168479017750129.