3a,3'a(1H,1'H):7',3''a(1''H)-Terpyrrolo[2,3-b]indole, 2,2',2'',3,3',3'',8,8',8'',8a,8'a,8''a-dodecahydro-1,1',1''-trimethyl- | 18210-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3a,3'a(1H,1'H):7',3''a(1''H)-Terpyrrolo[2,3-b]indole, 2,2',2'',3,3',3'',8,8',8'',8a,8'a,8''a-dodecahydro-1,1',1''-trimethyl-
• 英文别名: 3-methyl-5,8b-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
• CAS: 18210-71-4
• 化学式: C₃₃H₃₈N₆
• 分子量: 518.7
• InChiKey: DPVWJPVYOXKFRQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  39
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.8
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• DIAZENE DIRECTED MODULAR SYNTHESIS OF COMPOUNDS WITH QUATERNARY CARBON CENTERS
  申请人：Massachusetts Institute of Technology

  公开号：US20190119286A1

  公开（公告）日：2019-04-25

  Diazene-directed modular synthesis is described for the preparation Csp2-Csp3 and Csp3-Csp3 linkages where one or more stereogenic quaternary carbon centers are formed. The disclosed methods are directed to the preparation of compounds of Formula (I), or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, from compounds of Formula (II): wherein R 1 -R 5 and q are as defined independently for each occurrence herein. A wide variety of compounds can be accessed in this manner, including oligocyclotryptamines, where the stereochemistry of each subunit is beneficially secured before fragment coupling.

  介绍了Diazene导向模块化合成法，用于制备Csp2-Csp3和Csp3-Csp3键合，其中形成一个或多个立体异构的季碳中心。所述方法是针对从式（II）化合物制备式（I）化合物或其药学上可接受的盐、互变异构体或立体异构体的。其中R1-R5和q在此各自独立地定义。通过这种方式可以获得各种各样的化合物，包括寡环色胺，其中每个亚单位的立体化学在断裂耦合之前有益地固定。
• [EN] DIAZENE DIRECTED MODULAR SYNTHESIS OF COMPOUNDS WITH QUATERNARY CARBON CENTERS<br/>[FR] SYNTHÈSE MODULAIRE DIRIGÉE PAR DIAZÈNE DE COMPOSÉS À CENTRES DE CARBONE QUATERNAIRE
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2017205539A1

  公开（公告）日：2017-11-30

  Diazene-directed modular synthesis is described for the preparation Csp2-Csp3 and Csp3-Csp3 linkages where one or more stereogenic quaternary carbon centers are formed. The disclosed methods are directed to the preparation of compounds of Formula (I), or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, from compounds of Formula (II) wherein R1-R5 and q are as defined independently for each occurrence herein. A wide variety of compounds can be accessed in this manner, including oligocyclotryptamines, where the stereochemistry of each subunit is beneficially secured before fragment coupling.

  介绍了Diazene导向的模块化合成方法，用于制备Csp2-Csp3和Csp3-Csp3键合，其中形成一个或多个立体异构的四价碳中心。所述方法旨在从式（II）的化合物制备式（I）的化合物，或其药学上可接受的盐、互变异构体或立体异构体，其中R1-R5和q在此独立地定义。通过这种方法可以获得各种各样的化合物，包括寡环色胺，其中每个亚单位的立体化学在片段耦合之前有益地得到保证。
• Diazene directed modular synthesis of compounds with quaternary carbon centers
  申请人：Massachusetts Institute of Technology

  公开号：US10640508B2

  公开（公告）日：2020-05-05

  Diazene-directed modular synthesis is described for the preparation Csp2-Csp3 and Csp3-Csp3 linkages where one or more stereogenic quaternary carbon centers are formed. The disclosed methods are directed to the preparation of compounds of Formula (I), or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, from compounds of Formula (II): wherein R1-R5 and q are as defined independently for each occurrence herein. A wide variety of compounds can be accessed in this manner, including oligocyclotryptamines, where the stereochemistry of each subunit is beneficially secured before fragment coupling.

  本发明描述了重氮定向模块化合成法制备 Csp2-Csp3 和 Csp3-Csp3 连接，其中形成了一个或多个立体源季碳中心。所公开的方法用于从式（II）化合物制备式（I）化合物或其药学上可接受的盐、同分异构体或立体异构体： 其中 R1-R5 和 q 在每次出现时均独立定义。通过这种方式可以获得多种化合物，包括低聚环色胺，在片段偶联之前，每个亚基的立体化学结构都能得到有效保证。