2-(2-氨基-3-羟基-3-氧代丙基)硫基丁二酸 | 34317-60-7

• 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-(2-氨基-3-羟基-3-氧代丙基)硫基丁二酸
• 英文名称: 2-amino-3-(1,2-dicarboxyethylthio)propanoic acid
• 英文别名: S-(1,2-dicarboxy-ethyl)-cysteine；2-Amino-3-(1.2-dicarboxy-aethylmercapto)-propionsaeure；S-(1,2-Dicarboxy-aethyl)-cystein；α-cysteine-S-yl succinic acid；S-(α,β-Dicarboxy-aethyl)-cystein；S-(1,2-Dicarboxyethyl)-cystein；S-Cysteinosuccinic acid；2-(2-amino-2-carboxyethyl)sulfanylbutanedioic acid
• CAS: 34317-60-7
• 化学式: C₇H₁₁NO₆S
• 分子量: 237.233
• InChiKey: XPKKFTKCRVIDAG-UHFFFAOYSA-N

物化性质

• 沸点：
  458.1±45.0 °C(Predicted)
• 密度：
  1.620±0.06 g/cm3(Predicted)
• 物理描述：
  Solid
• 熔点：
  132-134°C

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

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-(2-氨基-3-羟基-3-氧代丙基)硫基丁二酸 在 sodium hydroxide 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 3.0h， 生成 2-(2-Benzyloxycarbonylamino-2-methoxycarbonyl-ethylsulfanyl)-succinic acid dimethyl ester
  参考文献：
  名称：

  (2R), (1'R) and (2R), (1'S)-2-Amino-3-(1,2-dicarboxyethylthio)propanoic Acids from Amanita pantherina. Antagonists of N-Methyl-D-aspartic Acid (NMDA) Receptors.

  摘要：

  从 Amanita pantherina 中分离出一种大鼠脑膜和大鼠脊髓运动神经元中 NMDA 敏感谷氨酸受体的拮抗剂，并鉴定为 2-氨基-3-(1, 2-二羧乙基硫)丙酸的非对映异构体混合物。对混合物进行分离，并通过性质分析确定各组分的绝对构型为 (2R)、(1'R) 和 (2R)、(1'S)。

  DOI：

  10.1248/cpb.41.484
• 作为产物：
  描述：

  S-(1,2-二甲酰基乙基)谷胱甘肽 在 硫酸 、 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：

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。
• COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TARGETED DRUG DELIVERY
  申请人：SeeCure Taiwan Co., Ltd.

  公开号：US20180326101A1

  公开（公告）日：2018-11-15

  A compound represented by formula (I) is provided, wherein in formula (I), R 1 and R 2 each independently represents hydrogen, O—R 3 or S—R 4 , at least one of R 1 and R 2 is O—R 3 or S—R 4 , and R 3 and R 4 are independently a C 1 to C 10 alkyl group, such that the C 1 to C 10 alkyl group is non-substituted or substituted with at least one selected from the group consisting of —OH, —NH 2 , halogen, ester, ether, and carboxylic acid, and M being a metal or a metal-containing compound. The compound represented by formula (I) is shown to have higher specificity to tumor cells, and is therefore suitable for carrying anti-cancer drugs and/or nuclear imaging agents.

  提供一种由公式（I）表示的化合物，其中在公式（I）中，R1和R2分别表示氢，O—R3或S—R4，R1和R2中至少有一个是O—R3或S—R4，而R3和R4分别是C1到C10的烷基基团，使得C1到C10的烷基基团是非取代的或被至少一种选自—OH，—NH2，卤素，酯，醚和羧酸的基团取代的，M表示金属或含金属化合物。据显示，由公式（I）表示的化合物对肿瘤细胞具有更高的特异性，因此适用于携带抗癌药物和/或核成像剂。
• Compound and pharmaceutical composition for tumor imaging and tumor therapy
  申请人：SeeCure Taiwan Co., Ltd.

  公开号：US10016520B1

  公开（公告）日：2018-07-10

  A compound represented by formula (I) is provided, wherein in formula (I), R1 and R2 each independently represents hydrogen, O—R3 or S—R4, at least one of R1 and R2 is O—R3 or S—R4, and R3 and R4 are independently a C1 to C10 alkyl group, such that the C1 to C10 alkyl group is non-substituted or substituted with at least one selected from the group consisting of —OH, —NH2, halogen, ester, ether, and carboxylic acid, and M being a metal or a metal-containing compound. The compound represented by formula (I) is shown to have higher specificity to tumor cells, and is therefore suitable for carrying anti-cancer drugs and/or nuclear imaging agents.

  提供了一种由式(I)表示的化合物，其中在式(I)中，R1和R2各自独立地表示氢、O—R3或S—R4，R1和R2中至少有一个是O—R3或S—R4，而R3和R4独立地表示C1到C10烷基，使得C1到C10烷基是非取代的或取代的，所取代的基团来自于-OH、-NH2、卤素、酯、醚和羧酸中的至少一种。M是金属或含金属化合物。该式(I)表示的化合物具有更高的肿瘤细胞特异性，因此适合携带抗癌药物和/或核成像剂。
• 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。