S-(1,2-二羧基乙基)-L-半胱氨酸 | 547764-73-8

• 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: S-(1,2-二羧基乙基)-L-半胱氨酸
• 英文名称: S-(1,2-dicarboxyethyl)-L-cysteine
• 英文别名: s-(2-Succinyl)cysteine；2-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanedioic acid
• CAS: 547764-73-8
• 化学式: C₇H₁₁NO₆S
• 分子量: 237.233
• InChiKey: XPKKFTKCRVIDAG-WUCPZUCCSA-N

物化性质

• 沸点：
  458.1±45.0 °C(Predicted)
• 密度：
  1.620±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  163
• 氢给体数：
  4
• 氢受体数：
  8

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  S-(1,2-二羧基乙基)-L-半胱氨酸 在 溶剂黄146 作用下， 生成 2-(2-氨基-3-羟基-3-氧代丙基)硫基丁二酸
  参考文献：
  名称：

  Morgan; Friedmann, Biochemical Journal, 1938, vol. 32, p. 2297

  摘要：

  DOI：
• 作为产物：
  描述：

  S-(1,2-二甲酰基乙基)谷胱甘肽 在 硫酸 作用下， 生成 S-(1,2-二羧基乙基)-L-半胱氨酸
  参考文献：
  名称：

  Morgan; Friedmann, Biochemical Journal, 1938, vol. 32, p. 2297

  摘要：

  DOI：

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Ultrasensitive HPLC-MS Quantification of <i>S</i>-(2-Succino) Cysteine Based on Ethanol/Acetyl Chloride Derivatization in Fumarate Accumulation Cells
  作者：Ying Liu、Yu-Nan Chen、Jie Cheng、Jin-Xin Yan、Chen-Yu Xue、Hui-Yu Pan、Xu-Yang Shen、Jiang Zhou、Peng Jiang、Ying-Lin Zhou、Xin-Xiang Zhang

  DOI：10.1021/acs.analchem.2c03573

  日期：——

  cysteine (2SC) residue. This PTM is low in abundance and often requires a large amount of protein samples for 2SC quantification. In this work, an efficient quantification method based on ethanol/acetyl chloride chemical derivatization was developed. The three carboxyl groups of 2SC were all esterified to increase hydrophobicity, greatly improving its ionization efficiency. The sensitivity was increased

  琥珀化是一种非酶促且不可逆的翻译后修饰 (PTM)，具有重要的生物学意义，可产生S- (2-琥珀基) 半胱氨酸 (2SC) 残基。该 PTM 丰度较低，通常需要大量蛋白质样品才能进行 2SC 定量。在这项工作中，开发了一种基于乙醇/乙酰氯化学衍生化的有效定量方法。 2SC的三个羧基全部被酯化以增加疏水性，大大提高其电离效率。灵敏度提高112倍；检测限降低至0.885 fmol，蛋白质使用量减少至少10倍。采用所建立的方法定量检测富马酸积累细胞中2SC的总体浓度。
• NMR imaging with Mn(II) coordination compositions
  申请人：SALUTAR, INC.

  公开号：EP0308983A2

  公开（公告）日：1989-03-29

  Enhanced T₁ and T₂ relaxation in NMRI is obtained with solutions of non-chelate coordination compounds of the formula: [Mn(II)(H₂O)mA1nA2oA3pA4q]+a(Y,Zr)-a In the formula, A1, A2, A3 and A4 are the same of different amino-substituted carboxylic acid groups having from 2 to 18 carbons; Y and Z are each the same or a different anion of a pharmaceutically acceptable inorganic acid or an organic carboxylic acid having from 2 to 18 carbons; a is valence of the ions; m, n, o, p, and q are each 1 or 0, (m + n + o + p + q) = 4, and (n + o + p + q) is preferably from 1 to 3; and r is 1, and if Y is a multivalent anion, r is 0 or 1. The solution has a pH within the range of from 4 to 9.5, preferably from 5 to 7, and optimally from 5 to 6.5, and for parenteral administration, a coordination compound concentration of from 0.5 to 4.0 wt%. Preferably, n is from 1 to 3, optimally from 2-4, and most optimally from 2 to 3, and Y and Z are monovalent. For example Y is preferably an anion of an aliphatic carboxylic acid having from 2 to 6 carbons such as acetic, propionic, n-butyric acid, isobutyric acid, valeric acid, isovaleric acid, pivalic acid or gluconic acid, and Z is an inorganic anion such as chloride or sulfate. A1, A2, A3 and A4 are preferably α-amino acids having from 2 to 6 carbons such as glycine.

  利用式中的非螯合物配位化合物溶液，可以增强 NMRI 中的 T₁ 和 T₂ 弛豫： [Mn(II)(H₂O)mA1nA2oA3pA4q]+a(Y,Zr)-a 式中 A1、A2、A3 和 A4 是具有 2 至 18 个碳原子的相同或不同的氨基取代的羧酸基团； Y 和 Z 分别是相同或不同的药学上可接受的无机酸阴离子或具有 2 至 18 个碳原子的有机羧酸阴离子； a 是离子的化合价； m、n、o、p 和 q 各为 1 或 0，（m + n + o + p + q）= 4，（n + o + p + q）最好为 1 至 3；以及 r 为 1，如果 Y 是多价阴离子，则 r 为 0 或 1。 溶液的 pH 值范围为 4 至 9.5，优选 5 至 7，最佳为 5 至 6.5，对于肠外给药，配位化合物的浓度为 0.5 至 4.0 wt%。n 最好为 1 至 3，最佳为 2 至 4，最理想为 2 至 3，Y 和 Z 为一价。例如，Y 最好是具有 2 至 6 个碳原子的脂肪族羧酸的阴离子，如乙酸、丙酸、正丁酸、异丁酸、戊酸、异戊酸、特戊酸或葡萄糖酸，Z 是无机阴离子，如氯化物或硫酸盐。A1、A2、A3 和 A4 最好是具有 2 至 6 个碳原子的 α-氨基酸，如甘氨酸。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。