(R)-3-(Toluene-4-sulfonyl)-thiazolidine-4-carboxylic acid | 246177-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-3-(Toluene-4-sulfonyl)-thiazolidine-4-carboxylic acid
• 英文别名: (4R)-3-[(4-Methylphenyl)sulfonyl]-4-thiazolidinecarboxylic acid；(4R)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
• CAS: 246177-41-3
• 化学式: C₁₁H₁₃NO₄S₂
• mdl: MFCD15731883
• 分子量: 287.361
• InChiKey: ACWIABJMVUGEKZ-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (R)-3-(Toluene-4-sulfonyl)-thiazolidine-4-carboxylic acid 在 N-甲基吗啉 、 1-羟基苯并三唑 、 戴斯-马丁氧化剂 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-3-(Toluene-4-sulfonyl)-thiazolidine-4-carboxylic acid (1-formyl-2-phenyl-ethyl)-amide
  参考文献：
  名称：

  Peptidyl aldehyde inhibitors of calpain incorporating P2-proline mimetics

  摘要：

  Four new peptidyl aldehydes bearing proline mimetics at the P-2-Position were synthesized and studied as inhibitors of calpain 1, cathepsin B, and selected serine proteases. The ring size of the P-2-constraining residue influenced the inhibitory potency and selectivity of the compounds for calpain I compared to the other proteases. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00021-0
• 作为产物：
  描述：

  对甲苯磺酰氯 、 L-硫代脯氨酸 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-3-(Toluene-4-sulfonyl)-thiazolidine-4-carboxylic acid
  参考文献：
  名称：

  Peptidyl aldehyde inhibitors of calpain incorporating P2-proline mimetics

  摘要：

  Four new peptidyl aldehydes bearing proline mimetics at the P-2-Position were synthesized and studied as inhibitors of calpain 1, cathepsin B, and selected serine proteases. The ring size of the P-2-constraining residue influenced the inhibitory potency and selectivity of the compounds for calpain I compared to the other proteases. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00021-0

文献信息

• Peptidyl aldehyde inhibitors of calpain incorporating P2-proline mimetics
  作者：Isaac O. Donkor、Rajani Korukonda、Tien L. Huang、Louis LeCour

  DOI：10.1016/s0960-894x(03)00021-0

  日期：2003.3

  Four new peptidyl aldehydes bearing proline mimetics at the P-2-Position were synthesized and studied as inhibitors of calpain 1, cathepsin B, and selected serine proteases. The ring size of the P-2-constraining residue influenced the inhibitory potency and selectivity of the compounds for calpain I compared to the other proteases. (C) 2003 Elsevier Science Ltd. All rights reserved.