2'-Benzyl-2(R)-[1(S)-(hydroxycarbamoyl)-4-phenylbutyl]-4-methyl-2'-[2-(1H-1,2,3-triazol-1-yl)acetyl]valerohydrazide p-toluenesulphonate | 253793-02-1

• 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: 2'-Benzyl-2(R)-[1(S)-(hydroxycarbamoyl)-4-phenylbutyl]-4-methyl-2'-[2-(1H-1,2,3-triazol-1-yl)acetyl]valerohydrazide p-toluenesulphonate
• 英文别名: (2S,3R)-3-[[benzyl-[2-(triazol-1-yl)acetyl]amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylpropyl)hexanamide;4-methylbenzenesulfonic acid
• CAS: 253793-02-1
• 化学式: C₇H₈O₃S*C₂₈H₃₆N₆O₄
• 分子量: 692.836
• InChiKey: XENGYWIFFCNGQL-CLSOAGJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  49
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  192
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• HYDRAZINE DERIVATIVES
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1089964B1

  公开（公告）日：2003-10-29
• US6239151B1
  申请人：——

  公开号：US6239151B1

  公开（公告）日：2001-05-29
• [EN] HYDRAZINE DERIVATIVES<br/>[FR] DERIVES D'HYDRAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2000000465A1

  公开（公告）日：2000-01-06

  The invention provides hydrazine derivatives of formula (I) wherein R1 is lower alkyl, lower alkenyl, lower cycloalkyl, lower cycloalkyl-lower alkyl, aryl or aryl-lower alkyl; R2 is an acyl group derived from an α-, β-, η- or δ-(amino, hydroxy or thiol) carboxylic acid in which the amino, hydroxy or thiol group is optionally lower alkylated or the amino group is optionally acylated, sulphonylated or amidated and in which any functional group present in a side-chain is optionally protected, or a group of the formula Het(CH¿2?)mCO; R?3¿ is hydrogen, lower alkyl, halo-lower alkyl, cyano-lower alkyl, amino-lower alkyl, hydroxy-lower alkyl, lower alkoxy-lower alkyl, lower alkoxycarbonyl-lower alkyl, lower cycloalkyl-lower alkyl, aryl-lower alkyl, heterocyclyl-lower alkyl, heterocyclylcarbonyl-lower alkyl, lower alkenyl, lower alkynyl, lower cycloalkyl, aryl-lower alkenyl, aryl or heterocyclyl; R4 is lower alkyl, lower alkenyl, lower cycloalkyl, lower cycloalkyl-lower alkyl or a grouping of the formula X-aryl, X-heteroaryl or (CH¿2?)n-CH=CR?5R6; R5 and R6¿ together are lower alkylene in which one CH¿2? group is optionally replaced by a hetero atom; Het is heterocyclyl; X is a spacer group; m is 0, 1, 2, 3 or 4; and n is 1 or 2; and their pharmaceutically acceptable salts inhibit the release of tumour necrosis factor alpha (TNF-α) from cells. They can be used as medicaments, especially in the treatment of inflammatory and autoimmune diseases, osteoarthritis, respiratory diseases, tumours, cachexia, cardiovascular diseases, fever, haemorrhage and sepsis.