2-苯基-1,3-噻唑烷-4-羧酸 | 42607-21-6

• 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
• 中文名称: 2-苯基-1,3-噻唑烷-4-羧酸
• 中文别名: 2-苯基噻唑烷-4-羧酸；2-苯基-4-噻唑烷-4-羧酸；2-苯基-噻莫西酸；4-甲酸基-2-苯基噻唑烷；2-苯基-4-噻唑烷羧酸；4-噻唑烷羧酸,2-苯基-
• 英文名称: 2-phenyl-1,3-thiazolidine-4-carboxylic acid
• 英文别名: 2-phenylthiazolidine-4-carboxylic acid；2-Phenyl-thiazolidin-4-carbonsaeure；2-phenyl-1,3-thiazolidin-3-ium-4-carboxylate
• CAS: 42607-21-6
• 化学式: C₁₀H₁₁NO₂S
• mdl: MFCD00170683
• 分子量: 209.269
• InChiKey: AZDYQBFYMBALBY-UHFFFAOYSA-N

物化性质

• 熔点：
  178-179°C
• 沸点：
  433.6±45.0 °C(Predicted)
• 密度：
  1.2418 (rough estimate)

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

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 储存条件：
  | 室温 |

反应信息

• 作为反应物：
  描述：

  2-苯基-1,3-噻唑烷-4-羧酸 在 baker's yeast 、 phosphate buffer 作用下， 反应 72.0h， 以8%的产率得到苄硫醇
  参考文献：
  名称：

  Generation of Thiols by Biotransformation of Cysteine−Aldehyde Conjugates with Baker's Yeast

  摘要：

  Baker's yeast was shown to catalyze the transformation of cysteine-furfural conjugate into 2-furfurylthiol. The biotransformation's yield and kinetics were influenced by the reaction parameters such as pH, incubation mode (aerobic and anaerobic), and substrate concentration. 2-Furfurylthiol wets obtained in an optimal 37% yield when cysteine-furfural conjugate at a 20 mM concentration wets anaerobically incubated with whole cell baker's yeast at pH 8.0 and 30 degreesC. Similarly to 2-furfurylthiol, 5-methyl-2-furfurylthiol (11%), benzylthiol (8%), 2-thiophenemethanethiol (22%), 3-methyl-2-thiophenemethanethiol (3%), and 2-pyrrolemethanethiol (6%) were obtained from the corresponding cysteine-aldehyde conjugates by incubation with baker's yeast. This work indicates the versatile bioconversion capacity of baker's yeast for the generation of thiols from cysteine-alclehyde conjugates. Thanks to its food-grade character, baker's yeast provides a biochemical tool to produce thiols, which can be used as flavorings in foods and beverages.

  DOI：

  10.1021/jf026198j
• 作为产物：
  描述：

  L-半胱氨酸 、 苯甲醛 在 氨 作用下， 以 水 为溶剂， 反应 15.0h， 生成 2-苯基-1,3-噻唑烷-4-羧酸
  参考文献：
  名称：

  THE METHOD OF SYNTHESIZING ERGOTHIONEINE AND ANALOGS

  摘要：

  本公开涉及一种合成麦角硫氨酸或其衍生物之一的方法，其化学式如下（I）：或者其生理上可接受的盐、互变异构体、立体异构体或各种比例的立体异构体混合物，从以下化合物的甜菜碱类型的化学式（II）：或者其生理上可接受的盐、互变异构体、立体异构体或各种比例的立体异构体混合物，在存在巯基的情况下进行裂解反应，温度高于或等于60°C。本公开还涉及化合物的化学式（II）及其合成方法。

  公开号：

  US20120136159A1

文献信息

• <i>S</i>-Aroylthiooximes: A Facile Route to Hydrogen Sulfide Releasing Compounds with Structure-Dependent Release Kinetics
  作者：Jeffrey C. Foster、Chadwick R. Powell、Scott C. Radzinski、John B. Matson

  DOI：10.1021/ol500385a

  日期：2014.3.21

  We report the facile preparation of a family of S-aroylthiooxime (SATO) H2S donors, which are synthesized via a click reaction analogous to oxime formation between S-aroylthiohydroxylamines (SATHAs) and aldehydes or ketones. Analysis of cysteine-triggered H2S release revealed structure-dependent release kinetics with half-lives from 8–82 min by substitution of the SATHA ring. The pseudo-first-order

  我们报告的家庭-S-芳香酰硫肟（SATO）H 2 S供体的简便制备，通过类似于在S-芳香酰硫羟胺（SATHAs）与醛或酮之间肟形成的点击反应合成。半胱氨酸触发的H 2 S释放分析表明，通过取代SATHA环，结构依赖的释放动力学具有8-82分钟的半衰期。取代的SATO的拟一阶速率常数符合标准线性自由能关系（ρ= 1.05），表明对电子效应具有显着的敏感性。
• PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS
  申请人：Zhou Jiacheng

  公开号：US20100190981A1

  公开（公告）日：2010-07-29

  The present invention is related to processes for preparing chiral substituted pyrazolyl pyrrolo[2,3-d]pyrimidines of Formula III, and related synthetic intermediate compounds. The chiral substituted pyrazolyl pyrrolo[2,3-d]pyrimidines are useful as inhibitors of the Janus Kinase family of protein tyrosine kinases (JAKs) for treatment of inflammatory diseases, myeloproliferative disorders, and other diseases.

  本发明涉及制备手性取代吡唑基吡咯并[2,3-d]嘧啶的公式III的过程，以及相关的合成中间体化合物。这些手性取代吡唑基吡咯并[2,3-d]嘧啶可用作抑制Janus激酶家族蛋白酪氨酸激酶（JAKs）的药物，用于治疗炎症性疾病、骨髓增生性疾病和其他疾病。
• Inhibitors of hepatitis C virus NS3 protease
  申请人：——

  公开号：US20020065248A1

  公开（公告）日：2002-05-30

  The present invention relates to compounds of Formula (I): 1 wherein A 1 is methylene, ethylene or propylene group and A 2 is N or CR 5 , or stereoisomeric forms, stereoisomeric mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HCV NS3 protease, and to pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent.

  本发明涉及化合物的结构公式（I）：其中A1为亚甲基、乙烯基或丙烯基，A2为N或CR5，或其立体异构体形式、立体异构体混合物或药用盐形式，用作HCV NS3蛋白酶的抑制剂，以及包含相同化合物的药物组合物和诊断试剂盒，以及用于治疗病毒感染或作为测定标准或试剂的方法。
• The decarboxylative route to azomethine ylides. Stereochemistry of 1,3-dipole formation
  作者：Ronald Grigg、Sivagnanasundram Surendrakumar、Sunit Thianpatanagul、David Vipond

  DOI：10.1039/c39870000047

  日期：——

  cycloadducts produced from primary and secondary α-amino acids, aldehydes, and N-methylmaleimide indicate they usually arise from stereospecific or highly stereoselective formation of the anti-isomer of an intermediate azomethine ylide.

  由伯和仲α-氨基酸，醛和N-甲基马来酰亚胺产生的环加合物的立体化学研究表明，它们通常来自中间体偶氮甲碱ylide的反异构体的立体有择或高度立体选择性的形成。
• [EN] THIAZOLIDINONE AMIDES, THIAZOLIDINE CARBOXYLIC ACID AMIDES, METHODS OF MAKING, AND USES THEREOF<br/>[FR] AMIDES DE THIAZOLIDINONE, AMIDES D'ACIDE CARBOXYLIQUE DE THIAZOLIDINE, PROCEDES DE FABRICATION ET UTILISATIONS CORRESPONDANTS
  申请人：UNIV TENNESSEE RES FOUNDATION

  公开号：WO2005049591A1

  公开（公告）日：2005-06-02

  Substituted thiazolidinone carboxylic acid amides and substituted thiazolidine carboxylic acid amides according to formulae (I) and (II) are disclosed 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.

  根据公式(I)和(II)披露了替代噻唑烷酮羧酸酰胺和替代噻唑烷羧酸酰胺，其中各种取代基如规范中所定义。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。