[1-(2-{[(4-Bromo-1H-pyrazol-3-yl)methyl]amino}ethyl)-4-piperidinyl](4-chlorophenyl)methanone | 298697-88-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-(2-{[(4-Bromo-1H-pyrazol-3-yl)methyl]amino}ethyl)-4-piperidinyl](4-chlorophenyl)methanone
• 英文别名: [1-[2-[(4-bromo-1H-pyrazol-5-yl)methylamino]ethyl]piperidin-4-yl]-(4-chlorophenyl)methanone
• CAS: 298697-88-8
• 化学式: C₁₈H₂₂BrClN₄O
• 分子量: 425.756
• InChiKey: XRJGJSBHSFQMHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  61
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Novel compounds
  申请人：AstraZeneca AB, a Sweden corporation

  公开号：US20030134840A1

  公开（公告）日：2003-07-17

  The invention provides compounds of general formula 1 wherein R 1 , m, Q, T, n, R 2 , R 3 , V, W, X and R 4 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了一般式1的化合物，其中R1、m、Q、T、n、R2、R3、V、W、X和R4在说明书中定义，其制备方法，包含它们的制药组合物以及它们在治疗中的应用。
• NOVEL COMPOUNDS
  申请人：AstraZeneca AB

  公开号：EP1165545A1

  公开（公告）日：2002-01-02
• US6518286B1
  申请人：——

  公开号：US6518286B1

  公开（公告）日：2003-02-11
• US6946478B2
  申请人：——

  公开号：US6946478B2

  公开（公告）日：2005-09-20
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA UK LTD

  公开号：WO2000058305A1

  公开（公告）日：2000-10-05

  The invention provides compounds of general formula (I) wherein: R1 represents optionally substituted C¿1?-C12 alkyl or optionally substituted 3- to 10-membered saturated or unsaturated ring system comprising up to two ring carbon atoms that form carbonyl groups and comprising up to 4 ring heteroatoms independently selected from nitrogen, oxygen and sulfur; m is 0-1; Q represents OCH2, C1-C4 alkylene or C2-C4 alkenylene; T represents C(O)NH, or when m is 0, T may additionally represent a bond or NH, or when m is 1 and Q represents C1-C4 alkylene, T may additionally represent NH; n is 1-4; each R?2 and R3¿ independently represents H or C¿1?-C4 alkyl; V represents N, and W represents N or CH; X represents O, C(O), CH(OH), SO2, NH or N(C1-C6 alkyl), provided that when W represents N, then X represents either C(O) or SO2 and when W represents CH, then X is other than SO2; R?4¿ represents optionally substituted phenyl; R?5 and R6¿ each independently represent H, C¿1?-C6 alkyl or hydroxyC1-C6 alkyl, or R?5 and R6¿ together with the nitrogen atom to which they are attached form a 4- to 7-membered saturated heterocyclic ring; R?7 and R8¿ each independently represent H or C¿1?-C6 alkyl; and R?9¿ represents OH or -NR7R8; processes for their preparation, pharmaceutical compositions containing them and their use in therapy.