(4S,2r,s)-2-苯基噻唑烷-4-羧酸 | 205985-93-9

• 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
• 中文名称: (4S,2r,s)-2-苯基噻唑烷-4-羧酸
• 英文名称: (4S)-2-Phenyl-thiazolidin-4-carbonsaeure
• 英文别名: 2-phenylthiazolidine-4-carboxylic acid；(4S)-2-Phenylthiazolidine-4-carboxylic acid；(4S)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
• CAS: 205985-93-9
• 化学式: C₁₀H₁₁NO₂S
• 分子量: 209.269
• InChiKey: AZDYQBFYMBALBY-VEDVMXKPSA-N

物化性质

• 熔点：
  158-162 °C
• 稳定性/保质期：

  遵循规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 储存条件：
  存放于阴凉干燥处

反应信息

• 作为反应物：
  描述：

  (4S,2r,s)-2-苯基噻唑烷-4-羧酸 在 吡啶 、 乙酸酐 作用下， 反应 11.5h， 生成 dimethyl (3S)-1,1-dimethyl-3-phenyl-5-(trideuteriomethyl)-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
  参考文献：
  名称：

  Heterocyclische Verbindungen aus Zuckern, XV: Zur Konfiguration chiraler C-2-substituierter 4-Thiazolidincarbons�uren. Chiralit�tstransfer auf C-3 in 3,4-Dihydro-1H-pyrrolo[1,2-c]thiazolen

  摘要：

  5-Substituted 3,4-dihydro-pyrrolo[1,2-c]thiazole-6,7-dicarboxylic acid esters 3 are obtained from 2-substituted-3-acyl-1,3-thiazolidine-4-carboxylic acids, 1 in [3 + 2]-cycloaddition reactions via mesoionic oxazolone (''munchnone'') intermediates. The chirality at C-4 of the starting carboxylic acids 1 is eliminated in the products 3, and the chirality at C-3 (C-2 in the starting carboxylic acids 1) can thus be determined through chiroptical measurements. Several representatives of the ring system 3 have been characterised through H-1- and CD-spectra and the molecular structure of (3S)-3da has been determined by X-ray crystallography.

  DOI：

  10.1007/bf00818164
• 作为产物：
  描述：

  L-半胱氨酸 、 苯甲醛 以 乙醇 为溶剂， 反应 2.0h， 生成 (4S,2r,s)-2-苯基噻唑烷-4-羧酸
  参考文献：
  名称：

  1,3-噻唑烷的环链互变异构

  摘要：

  NMR光谱用于研究几种取代的1,3-噻唑烷中的环链互变异构平衡。该系统高度偏爱的环形式并且仅在2-（2-的情况下“ -羟基，5 ”溴苯基）-1,3-苯并噻唑线（2D）1 H和13 C NMR光谱显示的可检测量的开链互变异构体。1，3-噻唑烷环的相对稳定性估计比1，3-恶唑烷环的相对稳定性高10 4倍以上。

  DOI：

  10.1016/s0040-4020(01)96019-3

文献信息

• THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, AND SERINE AMIDES, INCLUDING POLYAMINE CONJUGATES THEREOF, AS SELECTIVE ANTI-CANCER AGENTS
  申请人：Miller Duane D.

  公开号：US20080255213A1

  公开（公告）日：2008-10-16

  Substituted thiazolidinone carboxylic acid amides and substituted thiazolidine carboxylic acid amides having a structure where the various substituent groups are as defined in the specification. Methods of making these compounds, pharmaceutical compositions containing the compounds, and their use, particularly for treating or preventing cancer, are also disclosed.

  具有结构的取代噻唑烷酮羧酸酰胺和取代噻唑烷羧酸酰胺，其中各种取代基如规范中定义。还披露了制备这些化合物的方法、含有这些化合物的药物组合物，以及它们的用途，特别是用于治疗或预防癌症。
• S-메틸메티오닌 설포늄의 유도체를 유효성분으로 포함하는 자외선에 의한 피부 손상 억제 및 피부 보호용 화장료 조성물
  申请人：UIF (University Industry Foundation), Yonsei University 연세대학교 산학협력단(220050095099) BRN ▼110-82-10500

  公开号：KR20180019310A

  公开（公告）日：2018-02-26

  본 발명은 S-메틸메티오닌 설포늄(S-Methylmethionine sulfonium, SMMS)의 유도체 또는 이의 약학적으로 허용가능한 염을 유효성분으로 포함하는 자외선에 의한 피부 손상 억제 및 피부 보호용 조성물에 관한 것으로, 보다 상세하게는 자외선에 의한 피부 손상 억제 및 피부 보호용 화장료 조성물, 의약외품 및 약학적 조성물을 제공한다.

  本发明涉及包含S-甲基甲硫氨基甲磺酸盐（S-Methylmethionine sulfonium, SMMS）的衍生物或其药学上可接受的盐作为有效成分的用于抑制皮肤受紫外线损伤和保护皮肤的化妆品组合物，更详细地提供了用于抑制皮肤受紫外线损伤和保护皮肤的化妆品组合物、非药用产品和药学配方。
• Acceleration of Mycobacterium growth
  申请人：ST GEORGE'S HOSPITAL MEDICAL SCHOOL

  公开号：US10633630B2

  公开（公告）日：2020-04-28

  The invention is in the field of growth of Mycobacteria. In particular, agents have been identified which enhance the growth of Mycobacterial species, which are naturally slow-growing. Such agents can therefore be used in the identification of Mycobacteria and in the diagnosis of Mycobacterial infections.

  本发明属于分枝杆菌生长领域。特别是，已经发现了能促进自然生长缓慢的分枝杆菌生长的制剂。因此，这些制剂可用于分枝杆菌的鉴定和分枝杆菌感染的诊断。
• SMALL CATIONIC ANTIMICROBIAL PEPTIDES
  申请人：THE UNIVERSITY OF BRITISH COLUMBIA

  公开号：EP2061886A1

  公开（公告）日：2009-05-27
• EP2061886B1
  申请人：——

  公开号：EP2061886B1

  公开（公告）日：2014-05-07