methyl ethanimidothioate hydrochloride | 5873-87-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 亚氨硫酯类
• 英文名称: methyl ethanimidothioate hydrochloride
• 英文别名: Methylthiolacetimidat*HCl；methyl ethanimidothioate;hydrochloride
• CAS: 5873-87-0
• 化学式: C₃H₇NS*ClH
• 分子量: 125.622
• InChiKey: VUZLDYZXUDCKKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 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：
  49.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl ethanimidothioate hydrochloride 在 吡啶 、 硫化氢 作用下， 生成 二硫代乙酸甲酯
  参考文献：
  名称：

  Synthesis of cephalosporins with substituted thiadiazoles directly attached to the C3-position. I. Synthesis of 3-(5-substituted-1,3,4-thiadiazol-2-yl)ceph-3-em derivatives.

  摘要：

  通过氧化环合反应，以2,3-二氯-5,6-二氰基苯醌直接或先经乙酰化3-硫羰基腙制得了3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物。这些3-硫羰基腙是从3-醛基头孢-3-烯和硫羰基酰肼反应得到的。7-噻吩基乙酰胺基-3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物(4)对革兰氏阳性菌的抗菌活性与头孢噻吩(CET)相似，而对革兰氏阴性菌的活性则优于CET。还讨论了与其他硫羰基腙的类似氧化环合反应。

  DOI：

  10.1248/cpb.28.2116
• 作为产物：
  描述：

  甲硫醇 、 乙腈 在 盐酸 作用下， 生成 methyl ethanimidothioate hydrochloride
  参考文献：
  名称：

  Synthesis of cephalosporins with substituted thiadiazoles directly attached to the C3-position. I. Synthesis of 3-(5-substituted-1,3,4-thiadiazol-2-yl)ceph-3-em derivatives.

  摘要：

  通过氧化环合反应，以2,3-二氯-5,6-二氰基苯醌直接或先经乙酰化3-硫羰基腙制得了3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物。这些3-硫羰基腙是从3-醛基头孢-3-烯和硫羰基酰肼反应得到的。7-噻吩基乙酰胺基-3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物(4)对革兰氏阳性菌的抗菌活性与头孢噻吩(CET)相似，而对革兰氏阴性菌的活性则优于CET。还讨论了与其他硫羰基腙的类似氧化环合反应。

  DOI：

  10.1248/cpb.28.2116

文献信息

• Tetrahydroisoquinolin-1-one derivative or salt thereof
  申请人：Hisamichi Hiroyuki

  公开号：US08486970B2

  公开（公告）日：2013-07-16

  [Problems] To provide a pharmaceutical, in particular a compound which can be used as a therapeutic agent for irritable bowel syndrome (IBS). [Means for Solving Problems] It was found that a tetrahydroisoquinolin-1-one derivative having an amide group at the 4-position or a pharmaceutically acceptable salt thereof has an excellent bombesin 2 (BB2) receptor antagonistic action. It is also found that the tetrahydroisoquinolin-1-one derivative is highly effective on bowel movement disorders. From the above, the tetrahydroisoquinolin-1-one derivative of the present invention is useful as a therapeutic agent for diseases associated with a BB2 receptor, in particular IBS.

  [问题] 提供一种药物，特别是一种化合物，可用作治疗肠易激综合症（IBS）的治疗剂。 [解决问题的方法] 发现在4位具有酰胺基团的四氢异喹啉-1-酮衍生物或其药学上可接受的盐具有出色的博美信2（BB2）受体拮抗作用。还发现四氢异喹啉-1-酮衍生物对肠道运动障碍非常有效。由此，本发明的四氢异喹啉-1-酮衍生物对于与BB2受体有关的疾病，特别是IBS，非常有用作为治疗剂。
• TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF
  申请人：Seldar Pharma Inc.

  公开号：EP2149561B1

  公开（公告）日：2015-09-09
• Novel Antibiotics for the Treatment of Gram-Positive Bacterial Infections
  作者：Michael Brands、Rainer Endermann、Reinhold Gahlmann、Jochen Krüger、Siegfried Raddatz、Jürgen Stoltefuβ、Vladimir N. Belov、Shamil Nizamov、Viktor V. Sokolov、Armin de Meijere

  DOI：10.1021/jm0111191

  日期：2002.9.1

  The natural dipeptide antibiotic TAN 1057 A,B displays excellent antibacterial activity against staphylococci including methicillin resistant Staphylococcus aureus. However, the in vitro activity against additional Gram-positive strains, in particular pneumococci and Enterococcus faecalis, proved to be considerably lower. We report the synthesis and pharmacological evaluation of new derivatives of this natural product that displayed increased antibacterial potency against staphylococci and were also active against pneumococci. In particular, the analogues bearing modified beta-homoarginine side chains with methylated guanidine moieties were shown to be significantly more potent than the natural product TAN 1057 A,B.
• Kotynski,A.; Stec,W.J., Polish Journal of Chemistry, 1978, vol. 52, p. 659 - 662
  作者：Kotynski,A.、Stec,W.J.

  DOI：——

  日期：——
• Synthesis of cephalosporins with substituted thiadiazoles directly attached to the C3-position. I. Synthesis of 3-(5-substituted-1,3,4-thiadiazol-2-yl)ceph-3-em derivatives.
  作者：TOHRU SUGAWARA、HIROTOMO MASUYA、TAISUKE MATSUO、TAKUICHI MIKI

  DOI：10.1248/cpb.28.2116

  日期：——

  3-(5-Substituted-1, 3, 4-thiadiazol-2-yl) ceph-3-em derivatives were prepared by oxidative ring closure with 2, 3-dichloro-5, 6-dicyanobenzoquinone directly or after acetylation of 3-thiocarbonylhydrazones, which were obtained from the reaction of 3-formylceph-3-ems and thiocarbonylhydrazines. The antibacterial activity of 7-thienylacetamido-3-(5-substituted-1, 3, 4-thiadiazol-2-yl) ceph-3-em derivatives (4) against gram-positive organisms was similar to that of cephalothin (CET), while the activity against gram-negative organisms was superior to that of CET. A similar oxidative ring closure reaction with other thiocarbonylhydrazones is also discussed.

  通过氧化环合反应，以2,3-二氯-5,6-二氰基苯醌直接或先经乙酰化3-硫羰基腙制得了3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物。这些3-硫羰基腙是从3-醛基头孢-3-烯和硫羰基酰肼反应得到的。7-噻吩基乙酰胺基-3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物(4)对革兰氏阳性菌的抗菌活性与头孢噻吩(CET)相似，而对革兰氏阴性菌的活性则优于CET。还讨论了与其他硫羰基腙的类似氧化环合反应。