2-[4-(3,5-Dichlorophenyl)piperazine-1-sulfonyl]benzoic acid | 296765-40-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-(3,5-Dichlorophenyl)piperazine-1-sulfonyl]benzoic acid
• 英文别名: 2-[4-(3,5-Dichlorophenyl)piperazin-1-yl]sulfonylbenzoic acid
• CAS: 296765-40-7
• 化学式: C₁₇H₁₆Cl₂N₂O₄S
• 分子量: 415.297
• InChiKey: MXAVLEQIKLKLKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Hydroxamic and carboxylic acid derivatives
  申请人：——

  公开号：US20030022893A1

  公开（公告）日：2003-01-30

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with matrix metalloproteinase, ADAM or ADAM-TS enzymes, a condition that is mediated by TNF &agr; or a condition involving a membrane-shedding event that is mediated by a metalloproteinase. Compounds of the invention are of formula I (B) 2 N—X—(CH 2 ) m -W-(CR 1 R 2 ) n —COY  (I) wherein n=0 or 1; m=0 or 1; X is S(O) 1-2 ; Y is OH or NHOH; W is aryl or heteroaryl; and the other groups are as defined herein.

  本发明涉及用于治疗与基质金属蛋白酶、ADAM或ADAM-TS酶相关的疾病、由TNFα介导的疾病或由金属蛋白酶介导的膜剥离事件相关的疾病的方法和化合物。本发明的化合物的化学式为I（B）2N—X—（CH2）m-W-（CR1R2）n—COY（I），其中n=0或1；m=0或1；X为S（O）1-2；Y为OH或NHOH；W为芳基或杂环芳基；其他基团如本文所定义。
• HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES
  申请人：Darwin Discovery Limited

  公开号：EP1163213A1

  公开（公告）日：2001-12-19
• US6465468B1
  申请人：——

  公开号：US6465468B1

  公开（公告）日：2002-10-15
• [EN] HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE HYDROXAMIXE ET CARBOXYLIQUE
  申请人：DARWIN DISCOVERY LTD

  公开号：WO2000056704A1

  公开（公告）日：2000-09-28

  Compounds (many of which are new) that have utility in the treatment of a condition associated with matrix metalloproteinase, ADAM or ADAM-TS enzymes, a condition that is mediated by TNF α or a condition involving a membrane-shedding event that is mediated by a metalloproteinase, are of formula (I): (B)2N-X-(CH2)m-W-(CR1R2)n-COY, wherein n= 0 or 1; m =0 or 1; X is S(O)1-2; Y is OH or NHOH; W is aryl or heteroaryl; and the other groups are as defined herein.