5-chloro-1,8,10,12,17,22,25,31-octaazapentacyclo[23.2.2.1~3,7~.1~9,13~.1~14,18~]dotriacontane-3(32),4,6,9(31),10,12,14(30),15,17-nonaen-23-one | 919085-20-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 5-chloro-1,8,10,12,17,22,25,31-octaazapentacyclo[23.2.2.1~3,7~.1~9,13~.1~14,18~]dotriacontane-3(32),4,6,9(31),10,12,14(30),15,17-nonaen-23-one
• 英文别名: 5-Chloro-1,8,10,12,17,22,25,31-octaazapentacyclo-[23.2.2.1~3,7~.1~9,13~.1~14,18~]dotriaconta-3(32),4,6,9(31),10,12,14(30),15,17-nonaen-23-on；5-chloro-1,8,10,12,17,22,25,31-octaazapentacyclo[23.2.2.1~3,7~.1~9,13~.1~14,18~]dotriaconta-3(32),4,6,9(31),10,12,14(30),15,17-nonaen-23-one；5-Chloro-1,8,10,12,17,22,25,31-octazapentacyclo[23.2.2.13,7.19,13.114,18]dotriaconta-3(32),4,6,9,11,13(31),14(30),15,17-nonaen-23-one
• CAS: 919085-20-4
• 化学式: C₂₄H₂₇ClN₈O
• 分子量: 478.984
• InChiKey: ZYXXEAMCTGOGSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• CYCLIC ANILINO - PYRIDINOTRIAZINES
  申请人：Rombouts Frederik Jan Rita

  公开号：US20100222574A1

  公开（公告）日：2010-09-02

  The present invention concerns the compounds of formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein m represents 1, n represents 1, Z represents N or C, in particular N; —X 1 — represents C 1-4 alkyl, in particular methyl; —X 2 — represents —C 1-4 alkyl- or —C 1-4 alkyl-NR 7 —, in particular propyl, -ethyl-NR 7 — or -propyl-NR 7 —; —Y— represents-NR 2 —C 1-6 alkyl-CO—NR 4 —, -Het 1 -C 1-6 alkyl-CO—NR 5 — or -Het 2 -CO—NR 6 — and wherein the —C 1-6 alkyl-linker of —NR 2 —C 1-6 alkyl-CO—NR 4 — or -Het 1 -C 1-6 alkyl-CO—NR 5 — is optionally substituted with one or where possible two or more substituents selected from hydroxy, halo and phenyl; R 1 represents hydrogen, chloro, fluoro or bromo; R 2 represents —C 1-4 alkyl-, in particular ethyl or methyl; R 7 represents hydrogen; R 8 represents hydrogen; R 4 , R 5 and R 6 represent hydrogen; Het 1 is selected from piperazinyl or piperidinyl, in particular -piperazinyl; Het 2 selected from pyrrolidinyl or piperidinyl, in particular pyrrolidinyl wherein said pyrrolidinyl is optionally substituted with hydroxy.
• US8778919B2
  申请人：——

  公开号：US8778919B2

  公开（公告）日：2014-07-15