{(S)-2-Oxo-1-[2-(2,3,5,6-tetrachloro-pyridin-4-ylamino)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester | 251936-51-3

• 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: {(S)-2-Oxo-1-[2-(2,3,5,6-tetrachloro-pyridin-4-ylamino)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(3S)-2-oxo-1-[2-[(2,3,5,6-tetrachloropyridin-4-yl)amino]ethyl]pyrrolidin-3-yl]carbamate
• CAS: 251936-51-3
• 化学式: C₁₆H₂₀Cl₄N₄O₃
• 分子量: 458.172
• InChiKey: FIVBUYRCCUYRHG-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  {(S)-2-Oxo-1-[2-(2,3,5,6-tetrachloro-pyridin-4-ylamino)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester 在 palladium on activated charcoal 氢气 、 sodium methylate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(S)-Amino-1-[2-(pyridin-4-ylamino)-ethyl]-pyrrolidin-2-one
  参考文献：
  名称：

  Solid-phase parallel synthesis of azarene pyrrolidinones as factor Xa inhibitors

  摘要：

  A focused library (4 x 14) prepared from 4-aminopyridine and 4-, 5-, and 6-azoindole templates was synthesized using 14 polymer supported 4-amido-2,3,5,6-tetrafluorophenyl (TFP) sulfonate esters inputs. Several compounds were identified as factor Xa inhibitors (IC(50)less than or equal to 0.1 mu M) helping to establish the SAR among these four series of azarene pyrrolidinones. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00151-7
• 作为产物：
  描述：

  (S)-boc-3-氨基-2-吡咯烷酮 在 platinum(IV) oxide N-甲基吗啉 、 氢气 、 四丁基碘化铵 、 sodium hydride 作用下， 生成 {(S)-2-Oxo-1-[2-(2,3,5,6-tetrachloro-pyridin-4-ylamino)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Solid-phase parallel synthesis of azarene pyrrolidinones as factor Xa inhibitors

  摘要：

  A focused library (4 x 14) prepared from 4-aminopyridine and 4-, 5-, and 6-azoindole templates was synthesized using 14 polymer supported 4-amido-2,3,5,6-tetrafluorophenyl (TFP) sulfonate esters inputs. Several compounds were identified as factor Xa inhibitors (IC(50)less than or equal to 0.1 mu M) helping to establish the SAR among these four series of azarene pyrrolidinones. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00151-7

文献信息

• Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds
  申请人：——

  公开号：US20020013310A1

  公开（公告）日：2002-01-31

  The compounds of formula I herein exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More specifically, they are inhibitors of the activity of Factor Xa. The present invention is directed to compounds of formula I, compositions containing compounds of formula I, and their use, for treating a patient suffering from, or subject to, a physiological condition which can be ameliorated by the administration of an inhibitor of the activity of Factor Xa.

  本文中的I式化合物表现出有用的药理活性，因此被纳入制药组合物中，并用于治疗患有某些医学疾病的患者。更具体地说，它们是Factor Xa活性的抑制剂。本发明涉及I式化合物、含有I式化合物的组合物以及它们的使用，用于治疗患有或受到生理状况影响的患者，这些状况可以通过给予Factor Xa活性抑制剂的治疗得到改善。
• US6281227B1
  申请人：——

  公开号：US6281227B1

  公开（公告）日：2001-08-28
• Solid-phase parallel synthesis of azarene pyrrolidinones as factor Xa inhibitors
  作者：Yong Gong、Michael Becker、Yong Mi Choi-Sledeski、Roderick S Davis、Joseph M Salvino、Valeria Chu、Karen D Brown、Henry W Pauls

  DOI：10.1016/s0960-894x(00)00151-7

  日期：2000.5

  A focused library (4 x 14) prepared from 4-aminopyridine and 4-, 5-, and 6-azoindole templates was synthesized using 14 polymer supported 4-amido-2,3,5,6-tetrafluorophenyl (TFP) sulfonate esters inputs. Several compounds were identified as factor Xa inhibitors (IC(50)less than or equal to 0.1 mu M) helping to establish the SAR among these four series of azarene pyrrolidinones. (C) 2000 Elsevier Science Ltd. All rights reserved.