CAS: 863971-44-2; (5S,8S,11S,12R)-11-((S)-Sec-Butyl)-1-(9H-Fluoren-9-yl)-5,8-Diisopropyl-12-Methoxy-4,10-Dimethyl-3,6,9-Trioxo-2-Oxa-4,7,10-Triazatetradecan-14-Oic Acid
该化合物是一种复杂的有机化合物,其特点是结构复杂,包括多种功能组和立体.这种化合物具有三异体贸易主干骨,表明氮原子存在于长的碳链中,有助于其潜在的生物活动.异异异丙基和异丁基组群的存在表明了水恐惧性特征,而甲和氟丁基甲基基聚物可能提高溶解性和稳定性.三异氧功能组表示潜在的再活动,可能允许与生物目标发生互动.在各种脊椎中心的特定配置中,其立体化学特征显示的立体化学特征,对于其生物化学,特别是化学结构化学特性至关重要.
- 英文名称(5S,8S,11S,12R)-11-((S)-Sec-Butyl)-1-(9H-Fluoren-9-yl)-5,8-Diisopropyl-12-Methoxy-4,10-Dimethyl-3,6,9-Trioxo-2-Oxa-4,7,10-Triazatetradecan-14-Oic Acid
- 中文名称(5S,9S,11S,12R)-11-((S)-仲丁基)-1-(9H-芴-9-基)-5,9-
- IUPAC名称(5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
- CAS编号863971-44-2
- MFCD编号:MFCD28386982
- FDA UNII编号:46H5G5LP2T
- 分子式:C36H51N3O7分子量:637.81
- 产品CID: 1865396
- 产品分类有机原料 → 有机酸及其衍生物 → 肽模拟物
- 相似结构搜索
- InChIKey: SMVBIYSFDNRJJI-FCUBIXSHSA-N
- JDM°CVJBADMSJP-FCUBIXSHSA-N
- 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数16.0
物理性质
MSDS等安全信息
上下游产品
(5S,8S,11S,12R)-11-((S)-仲丁基)-1-(9H-芴-9-基)-5,8- N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Valyl-N-[(3R,4S,5S)-1-Tert-Butoxy-3-Methoxy-5-Methyl-1-Oxoheptan-4-Yl]-N-Methyl-L-Valinamide 474645-25-5Tert-Butyl (3R,4S,5S)-4-[(2S)-2-[[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Amino]-N,3-Dimethylbutanamido]-3-Methoxy-5-Methylheptanoate 1375415-93-2
Tert-Butyl (3R,4S,5S)-4-[(2S)-2-[[(Benzyloxy)Carbonyl]Amino]-N,3-Dimethylbutanamido]-3-Methoxy-5-Methylheptanoate 120205-52-9
Tert-Butyl (3R,4S,5S)-3-Methoxy-5-Methyl-4-[methyl(L-Valyl)Amino]Heptanoate 177423-00-6
合成工艺路线路线简述
- 84000-11-3 + 177423-00-6 = 863971-44-2
反应条件:1.1 Reagents: Diethyl Dicarbonate,Diisopropylethylamine Solvents: Ethyl Acetate; Overnight,Rt1.2 Reagents: Water; Rt2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; Overnight,Rt2.2 Reagents: Water; Rt
标题:Himb1636-Mmae,A Novel Trop2-Targeting Antibody-Drug Conjugate Exerting Potent Antitumor Efficacy In Pancreatic Cancer
作者:Sun,Li-Ping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2023 卷标:66(21) 页码:14700-14715]
474645-25-5 = 863971-44-2
反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; Overnight,Rt1.2 Reagents: Water; Rt
标题:Himb1636-Mmae,A Novel Trop2-Targeting Antibody-Drug Conjugate Exerting Potent Antitumor Efficacy In Pancreatic Cancer
作者:Sun,Li-Ping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2023 卷标:66(21) 页码:14700-14715]
1375415-93-2 = 863971-44-2
反应条件:1.1 Reagents: Diethylamine Solvents: Tetrahydrofuran; Overnight,Rt2.1 Reagents: Diethyl Dicarbonate,Diisopropylethylamine Solvents: Ethyl Acetate; Overnight,Rt2.2 Reagents: Water; Rt3.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; Overnight,Rt3.2 Reagents: Water; Rt
标题:Himb1636-Mmae,A Novel Trop2-Targeting Antibody-Drug Conjugate Exerting Potent Antitumor Efficacy In Pancreatic Cancer
作者:Sun,Li-Ping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2023 卷标:66(21) 页码:14700-14715]
120205-48-3 + 68858-20-8 = 863971-44-2
反应条件:1.1 Reagents: Diisopropylethylamine,2-Chloro-1-Methylpyridinium Iodide Solvents: Dimethylformamide,Ethyl Acetate; Overnight,Rt1.2 Reagents: Water; Rt2.1 Reagents: Diethylamine Solvents: Tetrahydrofuran; Overnight,Rt3.1 Reagents: Diethyl Dicarbonate,Diisopropylethylamine Solvents: Ethyl Acetate; Overnight,Rt3.2 Reagents: Water; Rt4.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; Overnight,Rt4.2 Reagents: Water; Rt
标题:Himb1636-Mmae,A Novel Trop2-Targeting Antibody-Drug Conjugate Exerting Potent Antitumor Efficacy In Pancreatic Cancer
作者:Sun,Li-Ping; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2023 卷标:66(21) 页码:14700-14715
📜(5S,8S,11S,12R)-11-((S)-仲丁基)-1-(9H-芴-9-基)-5,8-置于三氟乙酸体系中,用 二氯甲烷 作为反应溶剂,化学反应生成 (5S,9S,11S,12R)-11-((S)-仲丁基)-1-(9H-芴-9-基)-5,9-
参考文献:新型单甲基auristatin F类似物的设计,合成及生物活性评价
标题:新型单甲基auristatin F类似物的设计,合成及生物活性评价
摘要:单甲基auristatin F (Mmaf) 是天然化合物多拉司他汀10 的合成类似物,由于其体外高效力而在癌症研究中引起了广泛关注.虽然之前的研究主要集中在修饰氨基的n端延伸和羧基的c端修饰,但对修饰 P1 和 P5 侧链的探索有限.在本研究中,我们用各种天然或非天然氨基酸取代了p1位置的缬氨酸残基,并在p5侧链引入了三唑官能团.化合物11K和18D对微管蛋白表现出优异的抑制作用.此外,与母体化合物 Mmaf 相比,化合物18D对 Hct116 细胞的细胞毒性增强,表明其作为进一步抗体药物偶联物 (Adc) 开发的细胞毒性有效负载的潜力. 图文摘要
DOI:10.1007/s11030-024-10873-1
专利信息
专利号:US-2025073339-A1
优先权日:2023-08-15
标 题 :Conjugates comprising cleavable linkers
发明人：BEADLE JONATHAN DAVID; GALAN COCA ALBANO; COCCO MATTIA; GOUNDRY WILLIAM ROBERT FRASER
权利人:ASTRAZENECA AB
摘要:The specification relates to conjugates comprising a linker of Formula (IMA): n n n n n n n n n n and pharmaceutically acceptable salts thereof. The specification also relates the use of the conjugates for the treatment of diseases such as cancer, and intermediates useful for the synthesis of the conjugates.
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
[1]. Siew Schleyer, et al. Auristatin-related compounds, conjugated auristatin-related compounds, and methods of use thereof. WO2021142029A1. https://patents.google.com/patent/WO2021142029A1/en?oq=WO2021142029+A1
📝 需求与反馈
尽可能描述清楚需求与问题信息
