N-(3-mercaptopropanoyl)propylamine | 89614-33-5

• 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-(3-mercaptopropanoyl)propylamine
• 英文别名: N-propyl-3-mercaptopropionamide；N-Propyl-3-sulfanylpropanamide
• CAS: 89614-33-5
• 化学式: C₆H₁₃NOS
• 分子量: 147.241
• InChiKey: OFUXIUBDSACZEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  30.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3-mercaptopropanoyl)propylamine 在 三甲基氯硅烷 、 pyrophosphatase 、 pyruvate kinase 、 dephosphocoenzyme A kinase 、 phospho(enol) pyruvate 、 phosphopantetheine adenylyltransferase 、 四丁基溴化铵 、 cesium fluoride 、 magnesium chloride 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 231.0h， 生成 S-[3-oxo-3-(propylamino)propyl] (2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanethioate
  参考文献：
  名称：

  Development of a Second Generation Coenzyme A Analogue Synthon

  摘要：

  We have previously reported a general synthetic approach to analogues of coenzyme A (CoA) which involves enzymatic synthesis of a general CoA analogue synthon having a thioester linkage in place of the amide bond nearest the thiol group (Martin et al. J. Am. Chem. Sec. 1994, 116, 4660), We report here the synthesis of a second CoA analogue synthon 1c which has the amide bond more distant from the thiol group replaced with a thioester, This analogue was prepared by nonenzymatic synthesis of a racemic phosphopantetheine analogue followed by enzymatic conversion to the corresponding CoA analogue. Stereochemical analysis showed that the natural enantiomer of the phosphopantetheine analogue was selectively converted to product by the enzyme phosphopantetheine adenylyltansferase, yielding a product that possessed the desired stereoconfiguration. Reaction of the new synthon 1c with a primary amine results in amide bond formation to form the CoA analogue of interest. This new methodology provides access to an even broader array of CoA analogues modified in the beta-alanylcysteamine moiety, This has been demonstrated in the synthesis of an analogue having an extra methylene group in the beta-alanine moiety and two analogues in which the amide bond nearest the thiol group is replaced with a pair of methylene groups.

  DOI：

  10.1021/jo981758s
• 作为产物：
  描述：

  3-巯基丙酸甲酯 在 正丙胺 作用下， 以 异丙醇 为溶剂， 生成 N-(3-mercaptopropanoyl)propylamine
  参考文献：
  名称：

  Nitrosamine-free 3-isothiazolone

  摘要：

  不含亚硝胺的3-异噻唑酮生物杀菌组合物，适用于预期会有大量人类或动物接触的应用，其使用方法和制备过程已披露。

  公开号：

  US04939266A1

文献信息

• PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS
  申请人：Marsault Eric

  公开号：US20120165566A1

  公开（公告）日：2012-06-28

  The present invention is directed to novel macrocyclic compounds of formula (I) and their pharmaceutically acceptable salts, hydrates or solvates: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , n 1 , m, p Z 1 , Z 2 , and Z 3 are as describe in the specification. The invention also relates to compounds of formula (I) which are antagonists of the motilin receptor and are useful in the treatment of disorders associated with this receptor and with or with motility dysfunction.

  本发明涉及公式（I）的新型大环化合物及其药学上可接受的盐、水合物或溶剂化物：其中R1、R2、R3、R4、R5、R6、n1、m、p、Z1、Z2和Z3如规范中所述。本发明还涉及公式（I）的化合物，它们是蠕动素受体的拮抗剂，并且在治疗与该受体相关的疾病和蠕动功能障碍的方面是有用的。
• PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE
  申请人：Yamada Ko

  公开号：US20100239219A1

  公开（公告）日：2010-09-23

  A particle includes: a metal; and a compound containing a hydrogen-bonding forming group, an absorption group different from the hydrogen-bonding forming group, and an aromatic ring, M representing the metal, A representing the absorption group, B representing the hydrogen-bonding forming group, a representing an integer of 0 or greater, b representing an integer of 0 or greater, c representing an integer of 1 or greater, R1 representing an aromatic ring (a planar ring up to a pi-electron number of 24) and a derivative of the aromatic ring, R2 through R5 representing a hydrogen atom, saturated hydrocarbon, unsaturated hydrocarbon, an ether bond, an ester bond, a cyano group, or derivatives of the substances and bonds, and the compound having a structure expressed by the following chemical formula.

  一种粒子包括：一种金属和一种含有氢键形成基团、不同于氢键形成基团的吸收基团和芳香环的化合物，其中M代表金属，A代表吸收基团，B代表氢键形成基团，a表示大于或等于0的整数，b表示大于或等于0的整数，c表示大于或等于1的整数，R1表示芳香环（平面环，最多具有24个π电子）和芳香环的衍生物，R2到R5表示氢原子、饱和碳氢化合物、不饱和碳氢化合物、醚键、酯键、氰基或上述物质和键的衍生物，并且该化合物具有以下化学式所表示的结构。
• Biocidal or biostatic compositions containing 3-isothiazolones, their method of preparation and their uses
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0095907B1

  公开（公告）日：1988-04-27
• SUBSTITUIERTE (THIOXO)CARBONYLAMINOPHENYL-URACILE
  申请人：Bayer CropScience AG

  公开号：EP1503994A1

  公开（公告）日：2005-02-09
• US4939266A
  申请人：——

  公开号：US4939266A

  公开（公告）日：1990-07-03