α-mercaptopropionamide | 4695-29-8

• 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
• 英文名称: α-mercaptopropionamide
• 英文别名: N-methyl mercapto-acetamide；2-mercaptopropionamide；mercapto-propionamide；2-methylmercaptoacetamide；thiolacticamide；2-Mercaptopropanamide；2-sulfanylpropanamide
• CAS: 4695-29-8
• 化学式: C₃H₇NOS
• 分子量: 105.161
• InChiKey: YDBVCFUMMUNSRW-UHFFFAOYSA-N

物化性质

• 沸点：
  253.1±23.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  44.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-mercaptopropionamide 、 氯甲酸三氯甲酯 以92%的产率得到
  参考文献：
  名称：

  MAI, K.;PATIL, G., TETRAHEDRON LETT., 1986, 27, N 20, 2203-2206

  摘要：

  DOI：
• 作为产物：
  描述：

  2-巯基丙酸乙酯 在 ammonium hydroxide 作用下， 反应 20.0h， 生成 α-mercaptopropionamide
  参考文献：
  名称：

  Studies on bi-heterocyclic compounds. I. 6-Substituted dihydro-1,4-thiazinones.

  摘要：

  5-甲基-2H-1,4-噻嗪-3(4H)-酮(4)与各种N-酰基吡啶盐(7a-g)反应得到(N-酰基二氢吡啶基)噻嗪酮(5a-g)，将其氧化得到一类新的吡啶基噻嗪酮(6a-g)。这些反应被应用于其他含氮芳基噻嗪酮的合成。其中一些含氮芳基噻嗪酮，特别是6-(4-吡啶基)噻嗪酮(6a, 14a和14b)，显示出了对豚鼠左心房有正性肌力作用和较小的变时效应。

  DOI：

  10.1248/cpb.35.2243

文献信息

• 1,4-thiazine derivative, and cardiotonic agent comprising it as
  申请人：Zenyaku Kogyo Kabushiki Kaisha

  公开号：US04800201A1

  公开（公告）日：1989-01-24

  A novel 1,4-thiazine derivative represented by the formula I, a pharmaceutically acceptable acid addition salt thereof, a process for preparation thereof and a cardiotonic agent comprising it as an effective component; ##STR1## wherein R.sub.1 and R.sub.2 represent respectively hydrogen atom, lower alkyl group, lower alkoxy group, amino group, lower alkyl-amino group, aryl-amino group, hydroxy group, aryl group or 5- or 6-membered heterocyclic residue; R.sub.3 and R.sub.4 represent hydrogen atom or lower alkyl group; and R.sub.5 represents N-containing heterocyclic residue and is not pyridinyl group when R.sub.1 and R.sub.2 represent hydrogen atom and R.sub.3 and R.sub.4 represent hydrogen atom or lower alkyl group.

  一种由式I代表的新型1,4-噻嗪衍生物，其药学上可接受的酸盐，其制备方法以及作为有效成分的强心药剂；其中R.sub.1和R.sub.2分别代表氢原子，较低的烷基基团，较低的烷氧基团，氨基，较低的烷基氨基团，芳基氨基团，羟基，芳基或5-或6-成员杂环残基；R.sub.3和R.sub.4代表氢原子或较低的烷基基团；R.sub.5代表含氮杂环残基，当R.sub.1和R.sub.2代表氢原子且R.sub.3和R.sub.4代表氢原子或较低的烷基基团时，R.sub.5不代表吡啶基。
• Method and agents on the basis of 2-mercaptopropionic acid amides for durable hair forming adn a method for producing same
  申请人：——

  公开号：US20030064043A1

  公开（公告）日：2003-04-03

  The object of the invention is a preparation for permanently deforming hair, wherein, as keratin-reducing agent, the material contains a 2-mercaptopropionamide of the general formula 1 in which R 1 and R 2 independently of one another represent H, a linear or branched alkyl group with 1 to 4 carbon atoms, a linear or branched mono- or dihydroxyalkyl group with 2 to 4 carbon atoms, a linear or branched alkoxyalkyl group or alkylaminoalkyl group with 2 to 8 carbon atoms, morpholinoalkyl with 2 to 3 carbon atoms in the alkyl group, with the proviso that R 1 and R 2 are not simultaneously H, or that R 1 and R 2 together with the nitrogen atom, form a five- or six-membered heterocyclic ring, which may contain a further N or O and be substituted with one or two OH and/or methyl groups. The preparation enables the hair to be deformed gently and uniformly at a pH form 6.5 to 9.5, which is gentle to the skin and hair, without causing allergic and sensitizing reactions.

  该发明的对象是一种用于永久性变形头发的制剂，其中，作为角蛋白还原剂，该材料含有一种符合通式1的2-巯基丙酰胺，其中R1和R2分别独立地代表H、具有1至4个碳原子的线性或支链烷基、具有2至4个碳原子的线性或支链单羟基或双羟基烷基、具有2至8个碳原子的线性或支链烷氧基烷基或烷基氨基烷基、具有2至3个碳原子的吗啉基烷基，条件是R1和R2不能同时为H，或者R1和R2与氮原子一起形成一个含有五元或六元杂环的环，该环可能含有进一步的N或O，并且可以被一个或两个羟基和/或甲基基团取代。该制剂使头发能够在pH值为6.5至9.5的范围内轻柔均匀地变形，对皮肤和头发温和，不会引起过敏和致敏反应。
• Triazolopyridazine LRRK2 kinase inhibitors
  作者：Maurizio Franzini、Xiaocong M. Ye、Marc Adler、Danielle L. Aubele、Albert W. Garofalo、Shawn Gauby、Erich Goldbach、Gary D. Probst、Kevin P. Quinn、Pam Santiago、Hing L. Sham、Danny Tam、Anh Truong、Zhao Ren

  DOI：10.1016/j.bmcl.2013.02.043

  日期：2013.4

  Leucine-rich repeat kinase 2 (LRRK2) has been implicated in the pathogenesis of Parkinson's disease (PD). Inhibition of LRRK2 kinase activity is a therapeutic approach that may lead to new treatments for PD. Herein we report the discovery of a series of [1,2,4]triazolo[4,3-b]pyridazines that are potent against both wild-type and mutant LRRK2 kinase activity in biochemical assays and show an unprecedented selectivity towards the G2019S mutant. A structural rational for the observed selectivity is proposed. (C) 2013 Elsevier Ltd. All rights reserved.