CAS: 866084-31-3; Tert-Butyl 4-(6-((6-(1-Butoxyvinyl)-8-Cyclopentyl-5-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]Pyrimidin-2-yl)Amino)Pyridin-3-yl)Piperazine-1-Carboxylate

该化合物是一种复杂的有机化合物,其复杂的分子结构包括多种功能组,如管状素,丙丁胺和丙酰胺衍生物.这种化合物有可能表现出七环化合物的典型特性,包括可能与生物目标发生相互作用的结构型体而可能发生的生物活动.一个异丁基基基组的存在表明脂性增加,这可能影响其溶性及在生物系统中的渗透性.此外,环球和丙基乙烯组可能有助于其药用特性.鉴于其复杂性,该物质可能对医药化学具有兴趣,特别是针对特定生物路径的药物特性的发展,包括具体生物特性,详细研究将有必要对其进行解释.

英文名称Tert-Butyl 4-(6-((6-(1-Butoxyvinyl)-8-Cyclopentyl-5-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]Pyrimidin-2-yl)Amino)Pyridin-3-yl)Piperazine-1-Carboxylate
中文名称2-甲基-2-丙基-4-(6-{[8-环戊基-5-甲基-7-氧代-6-(1-丁氧乙烯基)-7,8-二氢吡啶并[2,3-D]嘧啶-2-基]氨基}-3-吡啶基)-1-哌嗪甲酸
IUPAC名称tert-butyl 4-(6-((6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
其它别名Palbociclib Impurity 73; Palbociclib Impurity 19/tert-Butyl 4-(6-((6-(1-Butoxyvinyl)-8-Cyclopentyl-5-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]Pyrimidin-2-yl)Amino)Pyridin-3-yl)Piperazine-1-Carboxylate; Tert-Butyl 4-(6-(8-Cyclopentyl-5-Methyl-7-Oxo-6-(1-Propoxyvinyl)-7,8-Dihydropyrido[2,3-D]Pyrimidin-2-Ylamino)Pyridin-3-yl)Piperazine-1-Carboxylate; Palbociclib Int; Tert-Butyl 4-(6-((6-(1-Butoxyvinyl)-8-Cyclopentyl-5-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]Pyrimidin-2-yl)Amino)Pyridin-3-yl)Piperazine-1-Carboxylate; 4-[6-[[6-(1-Butoxyvinyl)-8-Cyclopentyl-5-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]Pyrimidin-2-Yl]Amino]Pyridin-3-Yl]Piperazine-1-Carboxylic Acid Tert-Butyl Ester; Tert-Butyl 4-(6-(8-Cyclopentyl-5-Methyl-7-Oxo-6-(1-Propoxyvinyl)-7,8-Dihydropyrido[2,3-D]Pyrimidin-2
CAS编号866084-31-3
MFCD编号:MFCD18642713
FDA UNII编号:Z8WT23DS5B
分子式:C33H45N7O4
分子量:603.75
产品CID: 1868874
产品分类Chemistry → Heterocyclic Building Blocks → Piperazines | Amides | Alkenyls | Pyridines | Other Aromatic Heterocycles | Pharmaceutical Intermediates → Antineoplastics → Palbociclib related | Aromatic Heterocycles | Amines

相似结构搜索
InChIKey: SCWKOLRZBMGTNT-UHFFFAOYSA-N
SCWKOLRZBMGTNT-UHFFFAOYSA-N…
计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数11.0

物理性质

沸点764.2±70.0 °C(预测)
密度1.224±0.06 g/cm3(预测)
pKa:5.24±0.10(预测)
LogP:5
溶解性DMSO (Slightly, Heated. Sonicated), Methanol (Slightly, Sonicated)
外观形态淡黄色固体
储存条件2-8°C(避光保存)
产品应用该化合物用于治疗ER阳性乳腺癌和HER2-正阴性乳腺癌而研制的,具有高度选择性的可逆抑制剂CDK 4/6的双环直立性直系细胞的商用发展的一个中间体.

合成工艺路线路线简述

362656-23-3 = 866084-31-3
反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile,Butanol; 8 H,Rt1.2 Solvents: Butanol; 10 Min,Rt2.1 Solvents: Dimethyl Carbonate; 25 H,110 °C3.1 Reagents: Diisopropylethylamine Catalysts: Palladium Diacetate,Bis[2-(Diphenylphosphino)Phenyl] Ether; Overnight,85 °C3.2 Solvents: Butanol; 0.5 H,Rt
标题:A New Route For The Synthesis Of Palbociclib
作者:Li,Shu-Ting; Et Al
参考文献:Chemical Papers 日期:2019 卷标:73(12) 页码:3043-3051]

63810-78-6 + 1003-03-8 = 866084-31-3
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane; 4 H,100 °C1.2 Reagents: Butanol2.1 Reagents: O-Cresyl Phosphate,Diisopropylethylamine Catalysts: Bis(Benzonitrile)Dichloropalladium Solvents: Dimethylformamide; 24 H,130 °C2.2 Reagents: Acetic Anhydride Solvents: Dimethylformamide; 4 H,70 °C3.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile,Butanol; 8 H,Rt3.2 Solvents: Butanol; 10 Min,Rt4.1 Solvents: Dimethyl Carbonate; 25 H,110 °C5.1 Reagents: Diisopropylethylamine Catalysts: Palladium Diacetate,Bis[2-(Diphenylphosphino)Phenyl] Ether; Overnight,85 °C5.2 Solvents: Butanol; 0.5 H,Rt
标题:A New Route For The Synthesis Of Palbociclib
作者:Li,Shu-Ting; Et Al
参考文献:Chemical Papers 日期:2019 卷标:73(12) 页码:3043-3051]

571188-81-3 + 571188-59-5 = 866084-31-3
反应条件:1.1 Solvents: Dimethyl Carbonate; 25 H,110 °C2.1 Reagents: Diisopropylethylamine Catalysts: Palladium Diacetate,Bis[2-(Diphenylphosphino)Phenyl] Ether; Overnight,85 °C2.2 Solvents: Butanol; 0.5 H,Rt
标题:A New Route For The Synthesis Of Palbociclib
作者:Li,Shu-Ting; Et Al
参考文献:Chemical Papers 日期:2019 卷标:73(12) 页码:3043-3051]

733039-23-1 = 866084-31-3
反应条件:1.1 Reagents: O-Cresyl Phosphate,Diisopropylethylamine Catalysts: Bis(Benzonitrile)Dichloropalladium Solvents: Dimethylformamide; 24 H,130 °C1.2 Reagents: Acetic Anhydride Solvents: Dimethylformamide; 4 H,70 °C2.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile,Butanol; 8 H,Rt2.2 Solvents: Butanol; 10 Min,Rt3.1 Solvents: Dimethyl Carbonate; 25 H,110 °C4.1 Reagents: Diisopropylethylamine Catalysts: Palladium Diacetate,Bis[2-(Diphenylphosphino)Phenyl] Ether; Overnight,85 °C4.2 Solvents: Butanol; 0.5 H,Rt
标题:A New Route For The Synthesis Of Palbociclib
作者:Li,Shu-Ting; Et Al
参考文献:Chemical Papers 日期:2019 卷标:73(12) 页码:3043-3051

海关参考信息

2901210000-乙烯
2905122000-异丙醇
2905143000-叔丁醇
2912110000-甲醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-10710999-B2
优先权日:2016-10-07
标题:Polymorph of an intermediate for palbociclib synthesis
发明人：GADAKAR MAHDESHKUMAR; PUNDE DNYANDEO; YADAV RAJENDRA; WAKCHAURE YOGESH
权利人:MYLAN LABORATORIES LTD
摘要:The present disclosure provides a novel polymorph of an intermediate useful in the preparation of palbociclib. The polymorph has enhanced properties that influence process ability of the intermediate and synthesis of palbociclib.

专利号:US-10807978-B2
优先权日:2016-07-04
标题:Process for preparation of palbociclib
发明人：MURUGAN ANDIAPPAN; KABRA VIPINKUMAR SHRIRAM; GADE CHINNA SAIDA REDDY; GONDU RAMA RAO; CHANDRASHEKAR SHRAVANKUMAR; PASUPATHY KRISHNAMOORTHY; KALAISELVAN ANANDAN
权利人:Dr Reddys Laboratories Ltd
摘要:The present application relates to a process for the preparation of crystalline form A of palbociclib having specific surface area more than 2 m 2 /g comprising one-pot process for the preparation of compound of formula (IV). The present application further relates to the preparation of acid-addition salts of palbociclib and their use for the synthesis of crystalline form A of palbociclib having specific surface area more than 2 m 2 /g.

专利号:US-7781583-B2
优先权日:2006-09-08
标题:Synthesis of 2-(pyridin-2-ylamino)-pyrido[2,3-d] pryimidin-7-ones
发明人：ERDMAN DAVID THOMAS; FLAMME CATHLIN MARIE; NELSON JADE DOUGLAS
权利人:PFIZER
摘要:The present invention provides methods of preparing substituted 2-(pyridin-2-ylamino)-pirido[2,3-d]pyrimidin-7-ones (formula 1), n nuseful in treating cell proliferative disorders, or a pharmaceutically acceptable salt thereof.

专利号:US-2008125588-A1
优先权日:2006-09-08
标题:SYNTHESIS OF 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3-d] PRYIMIDIN-7-ONES

专利号:JP-2008094834-A
优先权日:2006-09-08
标题 :Synthesis of 2- (pyridin-2-ylamino) -pyrido [2,3-d] pyrimidin-7-ones

专利号:EP-2069344-A2
优先权日:2006-09-08
标题:Synthesis of 2-(pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones