6-[(E)-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxyiminomethyl]pyridine-3-carbonitrile;dihydrochloride

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-[(E)-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxyiminomethyl]pyridine-3-carbonitrile;dihydrochloride
• 化学式: C20H26Cl2N6O2
• 分子量: 453.4
• InChiKey: TXUDSDXCFDPKLI-JTKDMUOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] 2-CYANOPYRROLIDINES AND THEIR ANALOGUES AS DPP-IV INHIBITORS<br/>[FR] INHIBITEUR DE LA DPP-IV
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2004048352A2

  公开（公告）日：2004-06-10

  A compound of the formula (I) or a pharmaceutically acceptable s alt thereof: [wherein X is CH2, O or S, R1 is the moiety represented by the formula (II), etc.: [wherein R3 is lower alkyl, etc., m is integer of 1 to 3], R2 is hydrogen, etc.]. Compouund of formula (I) inhibits DPP-IV activity. They are therefore useful in the treatment of conditions mediated by DPP-IV, such as NIDDM.