3-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-2-[[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]methyl]propanoic acid | 321585-00-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-2-[[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]methyl]propanoic acid
• 英文别名: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
• CAS: 321585-00-6
• 化学式: C₂₁H₁₉ClN₂O₅S₂
• 分子量: 478.977
• InChiKey: JQISTRJWILUASE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1200398A1

  公开（公告）日：2002-05-02
• US6765003B1
  申请人：——

  公开号：US6765003B1

  公开（公告）日：2004-07-20
• [EN] 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] DERIVES D'ACIDE 3-ARYLSULFONYL-2-(A SUBSTITUTION METHYL)PROPANOIQUE UTILISES COMME INHIBITEURS DE LA METALLOPROTEINASE A MATRICE
  申请人：PHARMACIA & UPJOHN SPA

  公开号：WO2001005756A1

  公开（公告）日：2001-01-25

  Compounds which are 3-arylsulfonyl-2-methyl propanoic acid derivatives of formula (I): wherein X is HO-NH- or HO-, R1 is selected from phenyl, 4-chlorophenyl, 4-fluorophenyl, 4-cyanophenyl, benzamido (i.e., -NH-CO-Ph) and benzamido substituted on the terminal phenyl ring by C1-C4 alkyl, fluoro, chloro, cyano or C1-4 alkoxy; R2 is selected from (a) -S-Ar or -S-CH2-Ar wherein Ar is an aromatic moiety; (b) -O-Ar wherein Ar is as defined above; (c) -S-Het or -S-CH2-Het wherein Het is a heterocyclic ring; and (d) 2,5-dioxo-1-imidazolidinyl or 2,4-dioxo-1-imidazolinyl; and the pharmaceutically acceptable salts thereof; have potent and selective inhibitory activity against matrix metalloproteinases (MMPs) and can thus be used in the treatment and prevention of diseases mediated by MMPs.