(14R)-14-hydroxynonadec-12-ene-1-sulfonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (14R)-14-hydroxynonadec-12-ene-1-sulfonic acid
• 化学式: C₁₉H₃₈O₄S
• 分子量: 362.6
• InChiKey: OXBVKAPHMRBDAL-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Hydroxyfattysulfonic acid analogs
  申请人：Falck R John

  公开号：US20050020680A1

  公开（公告）日：2005-01-27

  A hydroxyfattysulfonic acid analog represented by Formula (I): wherein X is an ethylene group, a vinylene group or an ethynylene group; Y is an ethylene group, a vinylene group, an ethynylene group, OCH 2 or S(O)pCH 2 wherein p is 0, 1 or 2; m is an integer of 1 to 5 inclusive; n is an integer of 0 to 4 inclusive; R 1 is a C 1-8 alkyl group, a C 3-8 cycloalkyl group, a C 1-4 alkyl group substituted with a C 3-8 cycloalkyl group, a C 1-4 alkyl group substituted with an aryl group or a C 1-4 alkyl group substituted with an aryloxy group; R 2 is a hydrogen atom or a methyl group; R 1 and R 2 together with the carbon atom to which they are attached may form a C 3-8 cycloalkyl group; R 3 is a hydrogen atom or a C 2-8 acyl group; R 4 is OR 5 or NHR 6 , wherein R 5 is a hydrogen atom, a C 1-4 alkyl group, an alkali metal, an alkaline earth metal or an ammonium group and R 6 is a hydrogen atom or a C 1-4 alkyl group; or a pharmaceutically acceptable salt or a hydrate thereof. The compounds of the present invention are useful as an elastase release inhibitor.

  一种羟基脂肪磺酸类似物，其化学式表示为（I）：其中X是乙烯基，乙烯基基团或乙炔基团；Y是乙烯基，乙烯基基团，乙炔基团，OCH2或S（O）pCH2，其中p为0，1或2；m为1至5的整数，包括1和5；n为0至4的整数，包括0和4；R1是C1-8烷基，C3-8环烷基，C1-4烷基，其上取代有C3-8环烷基，C1-4烷基，其上取代有芳基或C1-4烷基，其上取代有芳氧基；R2是氢原子或甲基基团；R1和R2与它们连接的碳原子一起可以形成C3-8环烷基；R3是氢原子或C2-8酰基基团；R4是OR5或NHR6，其中R5是氢原子，C1-4烷基，碱金属，碱土金属或铵基团，R6是氢原子或C1-4烷基；或其药学上可接受的盐或水合物。本发明化合物可用作弹性蛋白酶释放抑制剂。