(2S)-2-(1-methylethyl)-cysteamine hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2S)-2-(1-methylethyl)-cysteamine hydrochloride
• 英文别名: (S)-2-amino-3-methyl-1-butanethiol hydrochloride；(S)-1-thio-2-amino-3-methylbutane hydrochloride；(2S)-2-amino-3-methylbutane-1-thiol hydrochloride；(2S)-2-amino-3-methylbutanethiol hydrochloride；(2S)-2-amino-3-methylbutane-1-thiol;hydrochloride
• 化学式: C₅H₁₃NS*ClH
• 分子量: 155.692
• InChiKey: BACDLVHRIVSAMI-NUBCRITNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.81
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  28.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2S)-2-(1-methylethyl)-cysteamine hydrochloride 在 三乙胺 作用下， 以 二氯甲烷 、 水 、 苯 为溶剂， 反应 12.0h， 生成 (S)-(+)-4-isopropylthiazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  10.1016/s0957-4166(00)00154-3

  摘要：

  DOI：

  10.1016/s0957-4166(00)00154-3
• 作为产物：
  描述：

  [(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyl] methanesulfonate 在 盐酸 、 甲醇 、 potassium hydroxide 作用下， 以 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 14.5h， 生成 (2S)-2-(1-methylethyl)-cysteamine hydrochloride
  参考文献：
  名称：

  [EN] 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS
  [FR] DÉRIVÉS DE 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE ET COMPOSÉS CORRESPONDANTS UTILISÉS EN TANQUE QUE AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) UTILISÉS POUR LE TRAITEMENT DE, P.EX., DE L'ANGIOGENÈSE IMPLIQUÉE OU DE TROUBLES INFLAMMATOIRES

  摘要：

  2-(1H-吲哚-3-甲酰基)-噻唑-4-羧酰胺衍生物及相应的咪唑、噁唑和噻吩衍生物以及相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。本说明书揭示了示例化合物的合成和表征以及其药理数据（例如第27至32页和59至219页；示例1至8；化合物1-1至1-97；表1-a、2和3）。

  公开号：

  WO2021127302A1

文献信息

• (η⁶-Arene)Ru^II/Chiral SN Ligand: A Novel Bifunctional Catalyst System for Asymmetric Transfer Hydrogenation of Aromatic Ketones
  作者：Takao Ikariya、Masato Ito、Yuji Shibata、Akira Watanabe

  DOI：10.1055/s-0029-1217349

  日期：——

  A binary catalyst system of [RuCl2(η6-arene)]2 and a protic aminothiol (SN) ligand has been found to promote hydrogen transfer between alcohols and carbonyl compounds. The chiral catalyst system with the pipecolinol-derived chiral SN ligand displays excellent stereoselectivity in the asymmetric transfer hydrogenation of aromatic ketones using HCO2H-Et3N. Novel unsymmetrical bis(thiolate)-bridged binuclear complex, which is relevant to the generation of catalytically active species, has been synthesized and structurally characterized.

  发现了一种二元催化剂体系，由 [RuCl2(η6-芳烃)]2 和质子性氨基硫醇 (SN) 配体组成，能够促进醇和羰基化合物之间的氢转移。使用 HCO2H-Et3N 的具有哌啶醇衍生的手性 SN 配体的二元催化剂体系在对芳香酮的不对称转移氢化中显示出优异的立体选择性。合成并结构表征了一种新型非对称双硫醇盐桥连的双核配合物，该配合物与催化活性物种的生成相关。
• Efficient synthesis of primary 2-aminothiols from 2-aminoalcohols and methyldithioacetate
  作者：Guillaume Mercey、Delphine Brégeon、Annie-Claude Gaumont、Jocelyne Levillain、Mihaela Gulea

  DOI：10.1016/j.tetlet.2008.09.014

  日期：2008.11

  Various primary 2-aminothiols have been prepared by a general and efficient method, in three steps, starting from commercially available 2-aminoalcohols and methyldithioacetate as a convenient source of sulfur. (C) 2008 Elsevier Ltd. All rights reserved.
• Asymmetric synthesis of 1,3-thiazolidine-derived spiro-β-lactams via a Staudinger reaction between chiral ketenes and imines
  作者：Giuseppe Cremonesi、Piero Dalla Croce、Francesco Fontana、Alessandra Forni、Concetta La Rosa

  DOI：10.1016/j.tetasy.2005.08.054

  日期：2005.10

  Enantiomerically pure 1,3-thiazolidine-derived spiro-beta-lactams were stereoselectively synthesised by means of a Staudinger ketene-imine reaction starting from optically active N-Boc-1,3-thiazolidine-2-carboxylic acid derivatives and imines. The reactions were stereoselective and afforded spiro-beta-lactams with a relative trans-configuration. The absolute configuration of the new stereocentres was assigned on the basis of the well-accepted mechanism and confirmed by means of the X-ray crystal structure analysis. The spiro-beta-lactams were transformed into enantiomerically pure chiral monocyclic beta-lactams by opening the thiazolidine ring and recovering the chiral auxiliary. (c) 2005 Elsevier Ltd. All rights reserved.
• 10.1016/s0957-4166(00)00154-3
  作者：Gawley, Robert E.、Zhang, Qianhui、McPhail, Andrew T.

  DOI：10.1016/s0957-4166(00)00154-3

  日期：——
• [EN] 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS DE 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE ET COMPOSÉS CORRESPONDANTS UTILISÉS EN TANQUE QUE AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) UTILISÉS POUR LE TRAITEMENT DE, P.EX., DE L'ANGIOGENÈSE IMPLIQUÉE OU DE TROUBLES INFLAMMATOIRES
  申请人：IKENA ONCOLOGY INC

  公开号：WO2021127302A1

  公开（公告）日：2021-06-24

  2-(1H-lndole-3-carbonyl)-thiazole-4-carboxamide derivatives and the corresponding imidazole, oxazole and thiophene derivatives and related compounds as aryl hydrocarbon receptor (AHR) agonists for the treatment of angiogenesis implicated disorders, such as e.g. retinopathy, psoriasis, rheumatoid arthritis, obesity and cancer, or inflammatory disorders. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 27 to 32 and 59 to 219; examples 1 to 8; compounds 1-1 to 1-97; tables 1-a, 2 and 3).

  2-(1H-吲哚-3-甲酰基)-噻唑-4-羧酰胺衍生物及相应的咪唑、噁唑和噻吩衍生物以及相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。本说明书揭示了示例化合物的合成和表征以及其药理数据（例如第27至32页和59至219页；示例1至8；化合物1-1至1-97；表1-a、2和3）。