L-Proline, N-[(phenylmethyl)sulfonyl]-D-alanyl- | 162167-99-9

• 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: L-Proline, N-[(phenylmethyl)sulfonyl]-D-alanyl-
• 英文别名: (2S)-1-[(2R)-2-(benzylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
• CAS: 162167-99-9
• 化学式: C₁₅H₂₀N₂O₅S
• 分子量: 340.4
• InChiKey: HFNYXRSHLLOBDR-YPMHNXCESA-N

物化性质

• 沸点：
  596.4±60.0 °C(Predicted)
• 密度：
  1.376±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA<br/>[FR] INHIBITEURS DE PROTÉASES À SÉRINE SEMBLABLES À LA TRYPSINE, LEUR SYNTHÈSE ET LEUR UTILISATION COMME INHIBITEURS SÉLECTIFS DES FACTEURS DE COAGULATION IIA ET XA
  申请人：MEDICINES CO LEIPZIG GMBH

  公开号：WO2012083436A1

  公开（公告）日：2012-06-28

  The invention provides methods of making and using compounds of the formula (I) or a pharmaceutically acceptable salt thereof; wherein n is an integer between 1 and 2 inclusively; m is an integer between 0 and 2 inclusively; X is selected from the group consisting of CH or N; R1 is selected from the group consisting of -CH2NH2, and (Formula (II)); R2 is selected from the group consisting of -H, -OH, -NH2 and acetyl; R3 is selected from the group consisting of -H, benzyloxycarbonyl and benzyisulfonyl;and R4 is selected from the group consisting of -OH, (Formulae (III), (IV), (V), (VI)), wherein p is an integer between 0 and 2 inclusively, Y is selected from the group consisting of -0-, -S-, -S(=0)-, -S02-, methylene, -CH(OH)-, -CH(NH2)-, -CH(CH2-OH)-, -CH(CH2- NH2)- or -N(R6)-, R5 is selected from the group consisting of -H or a simple (C1-C3) alkyl and R6 is selected from the group consisting of -H, a simple (C1-C3) alkyl or a simple (C1-C3) acyl. These compounds are useful as anticoagulant agents as a result of their selective dual inhibition of thrombin and prothrombinase.