N-Hydroxy-2-[(S)-7-(5-(4-methylthiophenyl)-2-thienyl)-4-((5-Methyl-3-isoxazolyl)aminocarbonyl)-1,1-dioxoperhydro-1,4-thiazepin-7-yl]acetamide | 355847-57-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-Hydroxy-2-[(S)-7-(5-(4-methylthiophenyl)-2-thienyl)-4-((5-Methyl-3-isoxazolyl)aminocarbonyl)-1,1-dioxoperhydro-1,4-thiazepin-7-yl]acetamide
• 英文别名: (7S)-7-[2-(hydroxyamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-7-[5-(4-methylsulfanylphenyl)thiophen-2-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
• CAS: 355847-57-3
• 化学式: C₂₃H₂₆N₄O₆S₃
• 分子量: 550.681
• InChiKey: KCZOCXUOVZGKPW-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  204
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20030134849A1

  公开（公告）日：2003-07-17

  A compound of formula (I) in which R 1 is halo, lower alkoxy, optionally substituted aryl, optionally substituted aryloxy, optionally substituted heterecyclic group or optionally substituted lower alkynyl, R 2 is amidated carboxy, R 3 is hydrogen or acyl, Ar is aryl or heterocyclic group, X is thia, sulfinyl or sulfonyl, Y and Z are each lower alkylene, m and n are each an integer of 0 to 2, and a salt thereof, useful as inhibitors of matrix metalloproteinases (MMP) or the production of tumor necrosis factor &agr; (TNF &agr;).

  式(I)的化合物，其中R1是卤素、低碳氧基、可选取代芳基、可选取代芳氧基、可选取代杂环基或可选取代低炔基，R2是酰胺化羧基，R3是氢或酰基，Ar是芳基或杂环基，X是硫代、亚砜基或磺酰基，Y和Z是各自的低碳链基，m和n分别是0到2的整数，以及其盐，用作基质金属蛋白酶（MMP）抑制剂或肿瘤坏死因子α（TNFα）的产生。
• [EN] THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] DERIVES DE L'ACIDE THIAZEPINYLHYDROXAMIQUE EN TANT QU'INHIBITEURS DES METALLOPROTEINASES MATRICIELLES
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2001060808A1

  公开（公告）日：2001-08-23

  A compound of formula (I) in which R1 is halo, lower alkoxy, optionally substituted aryl, optionally substituted aryloxy, optionally substituted heterecyclic group or optionally substituted lower alkynyl, R2 is amidated carboxy, R3 is hydrogen or acyl, Ar is aryl or heterocyclic group, X is thia, sulfinyl or sulfonyl, Y and Z are each lower alkylene, m and n are each an integer of 0 to 2, and a salt thereof, useful as inhibitors of matrix metalloproteinases (MMP) or the production of tumor necrosis factor α (TNF α).

  化合物的化学式为（I），其中R1为卤素，较低的烷氧基，可选取代芳基，可选取代芳氧基，可选取代杂环基或可选取代较低的炔基，R2为酰胺化的羧基，R3为氢或酰基，Ar为芳基或杂环基，X为硫代基，亚砜基或磺酰基，Y和Z均为较低的烷基，m和n均为0到2的整数，以及其盐，用作基质金属蛋白酶（MMP）或肿瘤坏死因子α（TNFα）的抑制剂。
• THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1259499A1

  公开（公告）日：2002-11-27
• US6967197B2
  申请人：——

  公开号：US6967197B2

  公开（公告）日：2005-11-22