3-[(4'-cyano[1,1'-biphenyl]-4-yl)sulfonyl]-2-[(phenylsulfanyl)methyl]propanoic acid | 321584-76-3

• 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'-cyano[1,1'-biphenyl]-4-yl)sulfonyl]-2-[(phenylsulfanyl)methyl]propanoic acid
• 英文别名: 2-[[4-(4-Cyanophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoic acid
• CAS: 321584-76-3
• 化学式: C₂₃H₁₉NO₄S₂
• 分子量: 437.54
• InChiKey: MJVZNUFOLBENSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES<br/>[FR] INHIBITEURS TRICYCLIQUES DE POLY(ADP-RIBOSE) POLYMERASES
  申请人：AGOURON PHARMA

  公开号：WO2000042040A1

  公开（公告）日：2000-07-20

  Compounds of formula (I) are poly(ADP-ribosyl)transferase (PARP) inhibitors, and are useful as therapeutics in treatment of cancers and the amelioration of the effects of stroke, head trauma, and neurodegenerative disease. As cancer therapeutics, the compounds of the invention may be used, e.g., in combination with cytotoxic agents and/or radiation.

  公式（I）的化合物是聚(ADP-核糖基)转移酶（PARP）抑制剂，并可用于治疗癌症和改善中风、头部创伤和神经退行性疾病的影响，作为治疗剂。作为癌症治疗剂，本发明的化合物可以与细胞毒性剂和/或放射线结合使用。
• TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES
  申请人：AGOURON PHARMACEUTICALS, INC.

  公开号：EP1140936A1

  公开（公告）日：2001-10-10
• 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.