2-(7-methyl-3-(1-(2-(methylsulfonyl)phenylsulfonyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)acetic acid | 1222160-93-1

• 分子结构分类: 有机化合物
• 英文名称: 2-(7-methyl-3-(1-(2-(methylsulfonyl)phenylsulfonyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)acetic acid
• 英文别名: 2-[7-Methyl-3-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
• CAS: 1222160-93-1
• 化学式: C₂₁H₂₄N₄O₇S₂
• 分子量: 508.576
• InChiKey: LVCCLZPLHHIUHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  162
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• AZABENZIMIDAZOLONES
  申请人：Luo Robert Zhiyong

  公开号：US20110190336A1

  公开（公告）日：2011-08-04

  Compounds are provided having the general structure of formula I: In formula I, one member of the group (W, X, Y and Z) is a nitrogen atom and the remaining three members of the group are each independently a carbon atom covalently bonded to a radical, R 4 . The radicals, R 1 , R 2 , R 3 and R 4 are each defined herein, and n is an integer from 1 to 4. Also provided are stereoisomers, prodrugs, pharmaceutically acceptable salts, hydrates, salt hydrates, acid salt hydrates, and polymorphs of the compounds having the structure of formula I. The compounds bind the prostaglandin D2 receptor and are useful in the prophylaxis and treatment of prostaglandin D2-mediated diseases and conditions, including pain and inflammation, as well as asthma and allergic diseases and conditions.

  提供具有公式I的一般结构的化合物：在公式I中，该组的一员（W、X、Y和Z）是一个氮原子，而该组的其余三个成员分别是与基团R4共价键合的碳原子。在此定义基团R1、R2、R3和R4，n为1到4的整数。还提供了具有公式I结构的立体异构体、前药、药学上可接受的盐、水合物、盐水合物、酸盐水合物和多形体。这些化合物与前列腺素D2受体结合，可用于预防和治疗前列腺素D2介导的疾病和症状，包括疼痛和炎症，以及哮喘和过敏疾病和症状。
• [EN] AZABENZIMIDAZOLONES<br/>[FR] AZABENZIMIDAZOLONES
  申请人：CARA THERAPEUTICS INC

  公开号：WO2010045276A2

  公开（公告）日：2010-04-22

  Compounds are provided having the general structure of formula I: In formula I, one member of the group (W, X, Y and Z) is a nitrogen atom and the remaining three members of the group are each independently a carbon atom covalently bonded to a radical, R4. The radicals, R1 R2, R3 and R4 are each defined herein, and n is an integer from 1 to 4. Also provided are stereoisomers, prodrugs, pharmaceutically acceptable salts, hydrates, salt hydrates, acid salt hydrates, and polymorphs of the compounds having the structure of formula I. The compounds bind the prostaglandin D2 receptor and are useful in the prophylaxis and treatment of prostaglandin D2-mediated diseases and conditions, including pain and inflammation, as well as asthma and allergic diseases and conditions.