Butanediamide, N1-[(1S,2S)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, (2S)- | 137622-85-6

• 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: Butanediamide, N1-[(1S,2S)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, (2S)-
• 英文别名: (2S)-N-[(2S,3S)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
• CAS: 137622-85-6
• 化学式: C₃₈H₅₀N₆O₅
• 分子量: 670.852
• InChiKey: QWAXKHKRTORLEM-JCGRDUAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  49
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  167
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (-)-(3S,4aS,8aS,2'S,3'S)-2-[3'-amino-2'-hydroxy-4'-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide 、 N-(2-喹啉基羰基)-L-天冬氨酰胺 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以88%的产率得到Butanediamide, N1-[(1S,2S)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]-, (2S)-
  参考文献：
  名称：

  Stereocontrolled synthesis and biological activity of two diastereoisomers of the potent HIV-1 protease inhibitor saquinavir

  摘要：

  A general enantioselective synthesis of new syn-hydroxyethylamine isosteres has been developed. The approach, based on the controlled opening of functionalized optically active 2,3-epoxy amines, can be conveniently used for the preparation of new peptidomimetics with various residues. Finally the total synthesis of two diastereoisomer analogues of HIV-Protease inhibitor Saquinavir has been achieved and their biological activity evaluated. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.10.020

文献信息

• RADIOIMAGING MOIETIES COUPLED TO PEPTIDASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES
  申请人：Molecular Insight Pharmaceuticals, Inc.

  公开号：EP2061518A2

  公开（公告）日：2009-05-27
• THERAPEUTIC COMBINATIONS OF ANTIVIRAL AND ANTI-INFLAMMATORY THERAPIES
  申请人：Foresight Biotherapeutics, Inc.

  公开号：EP3288589A1

  公开（公告）日：2018-03-07
• [EN] RADIOIMAGING MOIETIES COUPLED TO PEPTIDASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES<br/>[FR] FRAGMENTS DE RADIO-IMAGERIE COUPLÉS À DES FRAGMENTS DE LIAISON AUX PEPTIDASES PERMETTANT D'IMAGER DES TISSUS ET DES ORGANES EXPRIMANT DES PEPTIDASES
  申请人：MOLECULAR INSIGHT PHARM INC

  公开号：WO2008028000A2

  公开（公告）日：2008-03-06

  [EN] Conjugates, methods and kits are described for imaging tissues and organs that express one or more peptidases. In a preferred embodiment of the invention, a series of di-(2-pyridylmethyl)amine (D) ligands, which can bind M(CO)₃ ⁺
  [FR] La présente invention concerne des conjugués, des procédés et des trousses permettant d'imager des tissus et des organes exprimant une ou plusieurs peptidases. Dans un mode de réalisation préféré de cette invention, une série de ligands de di-(2-pyridylméthyl)amine (D), qui peuvent lier M(CO)₃ ⁺
• [EN] A COMPOSITION, PROCESS OF PREPARATION OF SAID COMPOSITION, KIT AND A METHOD OF TREATING CANCER<br/>[FR] COMPOSITION, PROCÉDÉ DE PRÉPARATION DE LADITE COMPOSITION, KIT ET PROCÉDÉ DE TRAITEMENT DU CANCER
  申请人：CELLWORKS GROUP INC

  公开号：WO2015097667A2

  公开（公告）日：2015-07-02

  The present disclosure relates to a pharmaceutical composition and a kit to treat cancer. The disclosure provides a composition comprising AKT inhibitor and at least one of cyclooxygenase-2 inhibitor and 5-lipoxygenase inhibitor. The disclosure further relates to a process of preparing the said composition and a method of treating cancer comprising PTEN mutation/AKT mutation/ PI3K mutation alone or in combination with each other or in combination with mutations in other genes causing cancer.
• [EN] THERAPEUTIC COMBINATIONS OF ANTIVIRAL AND ANTI-INFLAMMATORY THERAPIES<br/>[FR] COMBINAISONS THÉRAPEUTIQUES POUR TRAITEMENTS ANTIVIRAUX ET ANTI-INFLAMMATOIRES
  申请人：FORESIGHT BIOTHERAPEUTICS INC

  公开号：WO2016176396A1

  公开（公告）日：2016-11-03

  In some embodiments, the invention includes therapeutic combinations of antiviral active pharmaceutical ingredients and anti-inflammatory active pharmaceutical ingredients, including steroids, and methods of using of the therapeutic compositions in the treatment of viral infections.