2-chloro-4-[indan-5-ylamino]pyrimidine | 260046-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-chloro-4-[indan-5-ylamino]pyrimidine
• 英文别名: 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyrimidin-4-amine
• CAS: 260046-18-2
• 化学式: C₁₃H₁₂ClN₃
• mdl: MFCD17019954
• 分子量: 245.711
• InChiKey: IKOSLNDSTMFFOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity
  申请人：Breault Anne Gloria

  公开号：US20050090493A1

  公开（公告）日：2005-04-28

  A pyrimidine derivative of formula (I) wherein, for example, R 1 is hydrogen, (1-6C)alkyl, (3-5C)alkenyl or (3-5C)alkynyl; Q 1 and Q 2 are independently selected from phenyl, naphthyl, indanyl and 1,2,3,4-tetrahydronaphthyl; and one or both of Q 1 and Q 2 bears on any available carbon atom one substituent of formula (Ia) [provided that when present in Q 1 the substituent of formula (Ia) is not adjacent to the —NH— link]; wherein, for example, X is CH 2 , O, S or NH; Y is H or as defined for Z; Z is OH, SH, NH 2 , (1-4C)alkoxy, (1-4C)alkylthio, —NH(1-4C)alkyl, —N[(1-4C)alkyl] 2 or —NH—(3-8C)cycloalkyl; n is 1, 2 or 3; m is 1, 2 or 3; and Q 1 and Q 2 may optionally bear other substituents selected, for example, from halogeno, (1-6C)alkyl, cyano and (2-4C)alkenyl; or a pharmaceutically-acceptable salt or in-vivo-hydrolysable ester thereof; are useful as anti-cancer agents; and processes for heir manufacture and pharmaceutical compositions containing them are described.

  公式（I）的嘧啶衍生物，其中，例如，R1为氢，（1-6C）烷基，（3-5C）烯基或（3-5C）炔基；Q1和Q2分别选自苯基，萘基，茚基和1,2,3,4-四氢萘基；Q1和/或Q2中的一个或两个在任何可用的碳原子上带有公式（Ia）的取代基[前提是当存在于Q1时，公式（Ia）的取代基不与—NH—连接相邻]；其中，例如，X为CH2，O，S或NH；Y为H或如Z所定义；Z为OH，SH，NH2，（1-4C）烷氧基，（1-4C）烷基硫醚，—NH（1-4C）烷基，—N[(1-4C）烷基]2或—NH—（3-8C）环烷基；n为1, 2或3；m为1, 2或3；Q1和Q2可以选择性地带有其他取代基，例如，卤代，（1-6C）烷基，氰基和（2-4C）烯基；或其药学上可接受的盐或体内水解酯；可用作抗癌剂；并描述了其制备方法和含有它们的药物组合物。
• PYRIMIDINE COMPOUNDS
  申请人：AstraZeneca AB

  公开号：EP1107957A1

  公开（公告）日：2001-06-20
• US7176212B2
  申请人：——

  公开号：US7176212B2

  公开（公告）日：2007-02-13
• [EN] PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSES DE PYRIMIDINE
  申请人：ZENECA LTD

  公开号：WO2000012485A1

  公开（公告）日：2000-03-09

  A pyrimidine derivative of formula (I) wherein, for example, R1 is hydrogen, (1-6C)alkyl, (3-5C)alkenyl or (3-5C)alkynyl; Q¿1? and Q2 are independently selected from phenyl, naphthyl, indanyl and 1,2,3,4-tetrahydronaphthyl; and one or both of Q1 and Q2 bears on any available carbon atom one substituent of formula (Ia) [provided that when present in Q1 the substituent of formula (Ia) is not adjacent to the -NH- link]; wherein, for example, X is CH2, O, S or NH; Y is H or as defined for Z; Z is OH, SH, NH2, (1-4C)alkoxy, (1-4C)alkylthio, -NH(1-4C)alkyl, -N[(1-4C)alkyl]2 or -NH-(3-8C)cycloalkyl; n is 1, 2 or 3; m is 1, 2 or 3; and Q1 and Q2 may optionally bear other substituents selected, for example, from halogeno, (1-6C)alkyl, cyano and (2-4C)alkenyl; or a pharmaceutically-acceptable salt or in-vivo-hydrolysable ester thereof; are useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described.