N,S-diacetyl-cysteine | 19538-81-9

• 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
• 英文名称: N,S-diacetyl-cysteine
• 英文别名: S,N-diacetylcysteine；N,S-diacetyl-DL-cysteine；N,S-diacetyl-cysteine；N,S-Diacetyl-DL-cystein；DL-2-Acetamino-3-acetylmercapto-propionsaeure；N,S-Diacetyl-cystein；(2R)-2-acetamido-3-acetylsulfanylpropanoic acid；2-acetamido-3-acetylsulfanylpropanoic acid
• CAS: 19538-81-9
• 化学式: C₇H₁₁NO₄S
• 分子量: 205.235
• InChiKey: HSPYGHDTVQJUDE-UHFFFAOYSA-N

物化性质

• 熔点：
  118 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
• 沸点：
  446.8±40.0 °C(Predicted)
• 密度：
  1.314±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,S-diacetyl-cysteine 在 盐酸 作用下， 生成 DL-半胱氨酸
  参考文献：
  名称：

  Schoeberl, Chemische Berichte, 1947, vol. 80, p. 381,384

  摘要：

  DOI：
• 作为产物：
  描述：

  乙酸酐 生成 N,S-diacetyl-cysteine
  参考文献：
  名称：

  MONTORO, F.;CALATAYUD, J.;LUNA, M.

  摘要：

  DOI：

文献信息

• Anti-hypertensive agents
  申请人：University of Miami

  公开号：US04690936A1

  公开（公告）日：1987-09-01

  Novel inhibitors of angiotensin converting enzyme having the general formula R--A--S--Z are disclosed as potent inhibitors of angiotensin converting enzyme and are useful anti-hypertensive agents.

  本发明揭示了一种具有一般公式R--A--S--Z的血管紧张素转化酶新型抑制剂，它们是强效的血管紧张素转化酶抑制剂，可用作抗高血压药物。
• Orally effective anti-hypertensive agents
  申请人：University of Miami

  公开号：US04745124A1

  公开（公告）日：1988-05-17

  Novel thiolester compounds are disclosed which are orally effective angiotensin converting enzyme inhibitors useful in the treatment of mammalian hypertension. They have the formula, R.sub.1 -A.sub.1 -S-Z, wherein Z denotes -B-A.sub.2, R.sub.1 is H or an acyl group, A.sub.1 is a carboxylic acid containing at least one amino or imino -N-, A.sub.2 is a carboxylic acid containing at least one amino or imino -N- or a lower alkyl ester or amide thereof, B is a 2-4 carbon backbone chain in mercapto linkage to S which includes a carbonyl or sulfonyl group joined in carboxamido or sulfonamido linkage, respectively, to A.sub.2. Preferably A.sub.2 includes a 4-6 membered C-N ring or a 5 membered ring of one N, one S and 3 C atoms.

  本发明公开了新的硫代酯化合物，其是口服有效的血管紧张素转换酶抑制剂，可用于治疗哺乳动物高血压。它们的化学式为：R.sub.1 -A.sub.1 -S-Z，其中Z表示-B-A.sub.2，R.sub.1为H或酰基，A.sub.1是含有至少一个氨基或亚氨基-N-的羧酸，A.sub.2是含有至少一个氨基或亚氨基-N-或其低烷基酯或酰胺的羧酸，B是一个2-4碳骨架链，以巯基连接到S，其中包括一个羰基或磺酰基固定在羧酰胺或磺酰胺连接中，分别连接到A.sub.2。最好的情况是，A.sub.2包括一个4-6成员的C-N环或一个由一个N，一个S和3个C原子组成的5成员环。
• Angiotensin converting enzyme inhibitors
  申请人：UNIVERSITY OF MIAMI

  公开号：EP0036713A2

  公开（公告）日：1981-09-30

  Novel inhibitors of angiotensin converting enzyme having the general formula R-A-S-Z are disclosed as potent inhibitors of angiotensin converting enzyme and are useful anti-hypertensive agents.

  公开了通式为 R-A-S-Z 的新型血管紧张素转换酶抑制剂，它们是血管紧张素转换酶的强效抑制剂，也是有用的抗高血压药物。
• SYDNONE IMINE DERIVATIVES
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP0903346A1

  公开（公告）日：1999-03-24

  Compounds represented by the following general formula (1) or pharmaceutically acceptable salts thereof: [wherein Z represents -A-X-R1, a heterocycle or cycloalkyl; A represents a methylene group; X represents a sulfur atom; R1 represents a benzoyl group; R2 represents - N(R3)R4 (wherein R3 represents a methyl group; and R4 represents an optionally substituted alkyl group, etc.); or a group represented by the following general formula (2): wherein R5 and R6 represent each a hydrogen atom; and Y represents a group represented by the following general formula (3): (wherein R4 is as defined above)}]. Because of having vasodilative effect, myocardial protective effect, antiplatelet aggregation effect, etc., the compounds represented by the above general formula (1) or pharmaceutically acceptable salts thereof are useful as drugs such as therapeutic medicines for angina pectoris.

  由以下通式（1）代表的化合物或其药学上可接受的盐类： [其中 Z 代表-A-X-R1、杂环或环烷基；A 代表亚甲基；X 代表硫原子；R1 代表苯甲酰基；R2 代表-N(R3)R4(其中 R3 代表甲基；R4 代表任选取代的烷基等)；或下 列通式(2)所代表的基团： 其中 R5 和 R6 各代表一个氢原子；Y 代表由下式通式 (3) 所代表的基团： (其中 R4 如上定义）}]。 由于具有血管扩张作用、心肌保护作用、抗血小板聚集作用等，上述通式（1）所代表的化合物或其药学上可接受的盐类可用作药物，如心绞痛的治疗药物。
• Strontium-containing complexes for treatment of pain, pruritis and inflammation
  申请人：Galleon Labs LLC

  公开号：US10159693B2

  公开（公告）日：2018-12-25

  Therapeutically-active compositions that combine strontium with at least one additional molecules that increase the overall therapeutic potency of the combination beyond the potency of any of the separate constituents. Specifically, the combinations perform two important functions; (1) they increase the ability of topically-applied strontium to inhibit both acute sensory irritation (e.g., pruritus and pain), redness, swelling and inflammation (collectively defined for purposes of this description, “irritation”) and the chronic irritation that is characteristic of and contributes to the development and maintenance of painful or pruritic neuropathic conditions; and (2) they decrease the strontium activated pathways that are known to enhance the development and maintenance of pain, pruritis and neuropathic conditions.

  具有治疗活性的组合物，将锶与至少一种额外的分子结合在一起，提高了组合物的整体治疗效力，超过了任何单独成分的效力。具体来说，这种组合物有两个重要功能：（1）提高局部应用的锶抑制急性感觉刺激（如瘙痒和疼痛）、发红、发痒和疼痛的能力、瘙痒和疼痛）、发红、肿胀和炎症（在本说明中统称为 "刺激"）以及慢性刺激的能力，慢性刺激是疼痛或瘙痒性神经病理性症状的特征，也是其发展和维持的原因；(2) 它们能减少锶激活的途径，已知锶激活的途径能促进疼痛、瘙痒和神经病理性症状的发展和维持。

表征谱图