Z-D-4-F-Phe-Pro-OH | 864466-81-9

• 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: Z-D-4-F-Phe-Pro-OH
• 英文别名: Cbz-D-Phe(4-F)-Pro-OH；(2S)-1-[(2R)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
• CAS: 864466-81-9
• 化学式: C₂₂H₂₃FN₂O₅
• 分子量: 414.433
• InChiKey: COYKDMRIULCACA-MOPGFXCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine hydrochloride 、 Z-D-4-F-Phe-Pro-OH 在 N-甲基吗啉 、 氯甲酸异丁酯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 benzyl N-[(2R)-3-(4-fluorophenyl)-1-[(2S)-2-[[4-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
  参考文献：
  名称：

  [EN] BORONIC ACID THROMBIN INHIBITORS
  [FR] INHIBITEURS DE THROMBINE A BASE D'ACIDES BORONIQUES

  摘要：

  公开号：

  WO2005084687A3

文献信息

• Peptide boronic acid compounds useful in anticoagulation
  申请人：Combe-Marzelle Marie Sophie

  公开号：US20050282757A1

  公开（公告）日：2005-12-22

  A method for preventing thrombosis in a setting where rapid onset and/or rapid offset of anticoagulation is required, comprising administering a compound selected from the group consisting of boronic acids which have a neutral thrombin P1 domain linked to a hydrophobic moiety capable of binding to the thrombin S2 and S3 subsites, and pharmaceutically acceptable salts, prodrugs and pharmaceutically acceptable prodrug salts of such acids.

  一种用于在需要快速发生和/或快速停止抗凝的情况下预防血栓形成的方法，包括给予从羟基烷基部位能够结合凝血酶S2和S3亚位点的中性凝血酶P1结构域的硼酸化合物中选择的化合物，以及这些酸的药学上可接受的盐、前药和药学上可接受的前药盐。
• Boronic acid thrombin inhibitors
  申请人：Wang Shouming

  公开号：US20070185060A1

  公开（公告）日：2007-08-09

  A thrombin inhibitor selected from boronic acids of formula (I), and salts, prodrugs and prodrug salts thereof: wherein X is H (to form NH 2 ) or an amino-protecting group; aa 1 is an amino acid residue having a side chain selected from formula (A) and (B)—(CO) a —(CH 2 ) b -D c -(CH 2 ) d -E (A), —(CO) a —(CH 2 ) b -D c -C e (E 1 )(E 2 )(E 3 ) wherein E 1 , E 2 and E 3 are 5-6 membered saturated or unsaturated hydrocarbyl rings, or one of E 1 , E 2 and E 3 is hydrogen and the other two are a said hydrocarbyl ring, E, E 1 , E 2 and E 3 optionally being halogenated when saturated and mandatorily being halogenated when unsaturated, a particular halogen being fluorine; aa 2 is a residue of an amino acid which binds to the thrombin S2 subsite; and R 9 is a straight chain alkyl group interrupted by one or more ether linkages or R 9 is —(CH2)mW and W is —OH or halogen.
• [EN] BORONIC ACID THROMBIN INHIBITORS<br/>[FR] INHIBITEURS DE THROMBINE A BASE D'ACIDES BORONIQUES
  申请人：TRIGEN LTD

  公开号：WO2005084687A3

  公开（公告）日：2006-04-20