Cyclohexan-thiocarbonsaeure-hydrazid | 92503-30-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: Cyclohexan-thiocarbonsaeure-hydrazid
• 英文别名: Cyclohexyl-thiocarbonsaeure-hydrazid；cyclohexane carbothioic acid hydrazide；cyclohexanecarbothiohydrazide
• CAS: 92503-30-5
• 化学式: C₇H₁₄N₂S
• mdl: MFCD19201418
• 分子量: 158.268
• InChiKey: PVVCWTJNTVUDMC-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107 °C
• 沸点：
  260.4±23.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Cyclohexan-thiocarbonsaeure-hydrazid 在 氢氧化钾 、 polyvinylpyridine 作用下， 以 甲醇 、 乙醇 、 甲苯 为溶剂， 反应 34.0h， 生成 5-Cyclohexyl-2,3-dihydro-3-(3-mercapto-1-oxopropyl)-1,3,4-thiadiazole-2-carboxylic acid
  参考文献：
  名称：

  一种新型的，构象受限的，含2,3-二氢-1,3,4-噻二唑的血管紧张素转化酶抑制剂的设计，合成和理化性质，其优选通过大鼠的胆道途径消除。

  摘要：

  设计并合成了两个新系列的含二氢噻二唑环的血管紧张素转化酶抑制剂。该化合物是高效的酶抑制剂，并且由于构象限制，对于不希望的环化反应而言是化学稳定的。该系列中最有趣的化合物5a（FPL 63547）是高效的“氨基羧基”抑制剂5b（FPL 63674）的单乙酯前药。口服给药后，可在动物模型中长期产生降压作用。与其他ACE抑制剂不同，大鼠体内的胆汁清除几乎消除了5b。根据5a和5b的独特理化特性，合理化了其药理特性。用5b观察到的对胆道清除的明显偏爱与其亲脂性和在生理pH下的高净离子化程度相一致，这是由于C端羧酸功能的pKa值非常低所致。FPL 63547目前正在人体中进行临床研究。

  DOI：

  10.1021/jm00105a066

文献信息

• [EN] PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE PYRAZOLOPYRIMIDINONE ET LEURS UTILISATIONS
  申请人：ADURO BIOTECH INC

  公开号：WO2019055750A1

  公开（公告）日：2019-03-21

  The present invention relates to pyrazolopyrimidinone compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating autoimmune, inflammatory, and neurodegenerative diseases by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

  本发明涉及吡唑吡咪啉酮化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向需要的受试者施用这些化合物和药物组合物来治疗自身免疫、炎症和神经退行性疾病的方法。本发明还涉及利用这些化合物进行研究或其他非治疗目的的用途。
• 1,3,4-thiadiazoles
  申请人：Fisons plc

  公开号：US04927822A1

  公开（公告）日：1990-05-22

  There are described compounds of formula I, ##STR1## in which Y is S, O or NR.sub.9, n is 0 or 1, R.sub.9 is hydrogen or alkyl C 1 to 10, R.sub.3 is hydrogen, alkyl C 1 to 10, cycloalkyl C3 to 10, CF.sub.3, SR.sub.10, a 5 or 6 membered heterocyclic group containing one or more S, O or N atoms, NR.sub.4 R.sub.5, phenyl or phenylalkyl C7 to 12, the phenyl, phenylalkyl and heterocyclic groups optionally being fused to a further phenyl group, the heterocyclic group and any phenyl group optionally being substituted by alkyl C 1 to 6, halogen, alkoxy C 1 to 6, nitro, nitrile, CF.sub.3, SR.sub.6, NR.sub.7 R.sub.11 or hydroxy, R.sub.6, R.sub.7 and R.sub.11, which may be the same or different, are each hydrogen or alkyl C 1 to 10, R.sub.4 and R.sub.5, which may be the same or different, are each hydrogen, alkyl C 1 to 10 or phenyl, R.sub.10 is alkyl C 1 to 10, X.sub.1 is S or O, and A is a chain comprising from 2-16 atoms, which chain carries an O or S containing substitutent at a position 2-6 atoms away from the group C=X.sub.1, and pharmaceutically acceptable salts, esters and amides thereof, p1 there are also described method of making the compounds and pharmaceutical formulations, e.g. for the treatment of hypertension, containing them.

  描述了一种式子为I的化合物，其中Y为S、O或NR.sub.9，n为0或1，R.sub.9为氢或烷基C1到C10，R.sub.3为氢、烷基C1到C10、环烷基C3到C10、CF.sub.3、SR.sub.10、含有一个或多个S、O或N原子的5或6元杂环基、NR.sub.4R.sub.5、苯基或苯基烷基C7到C12，其中苯基、苯基烷基和杂环基可以选择与另一个苯基基团融合，杂环基和任何苯基基团可以选择被烷基C1到C6、卤素、烷氧基C1到C6、硝基、腈基、CF.sub.3、SR.sub.6、NR.sub.7R.sub.11或羟基取代，R.sub.6、R.sub.7和R.sub.11可以相同也可以不同，分别为氢或烷基C1到C10，R.sub.4和R.sub.5可以相同也可以不同，分别为氢、烷基C1到C10或苯基，R.sub.10为烷基C1到C10，X.sub.1为S或O，A为由2-16个原子组成的链，在距离C=X.sub.1基团2-6个原子处携带一个含O或S的取代基，以及其药学上可接受的盐、酯和酰胺。此外还描述了制备这些化合物和制备它们的药物配方的方法，例如用于治疗高血压。
• 5-membered heterocyclic ring angiotensin converting enzyme inhibitors
  申请人：FISONS plc

  公开号：EP0217519A1

  公开（公告）日：1987-04-08

  There are described compounds of formula I, in which Y is S, 0 or NR9, n is 0 or 1, R9 is hydrogen or alkyl C 1 to 10, R3 is hydrogen, alkyl C 1 to 10, cycloalkyl C3 to 10, CF3, SR10, a 5 or 6 membered heterocyclic group containing one or more S, O or N atoms, NR4R5, phenyl or phenylalkyl C7 to 12, the phenyl, phenylalkyl and heterocyclic groups optionally being fused to a further phenyl group, the heterocyclic group and any phenyl group optionally being substituted by alkyl C 1 to 6, halogen, alkoxy C 1 to 6, nitro, nitrile, CF3, SR6, NR7R11 or hydroxy, R6, R7 and R,,, which may be the same or different, are each hydrogen or alkyl C 1 to 10, R, and Rs, which may be the same or different, are each hydrogen, alkyl C 1 to 10 or phenyl, R,10 is alkyl C 1 to 10, X, is S or 0, and D is a chain comprising from 2 -16 atoms, which chain carries an O or S containing substituent at a position 2 -6 atoms away from the group C=X,, and pharmaceutically acceptable salts, esters and amides thereof, there are also described methods for making the compounds and pharmaceutical formulations, eg for the treatment of hypertension, containing them.

  所述化合物为式 I、 其中 Y 是 S、0 或 NR9、 n 是 0 或 1、 R9 是氢或 C 1-10 烷基、 R3 是氢、C 1 至 10 烷基、C3 至 10 环烷基、CF3、SR10、含有一个或多个 S、O 或 N 原子的 5 或 6 位杂环基团、NR4R5、苯基或 C7 至 12 苯烷基，其中苯基、苯烷基和杂环基团可选、苯基、苯基烷基和杂环基可选择与另一个苯基融合，杂环基和任何苯基可选择被 C1-6 烷基、卤素、C1-6 烷氧基、硝基、腈基、CF3、SR6、NR7R11 或羟基取代、 R6、R7 和 R，可以相同或不同，各自为氢或 C 1 至 10 烷基、 R,和 Rs，可以相同或不同，各自为氢、C 1-10 烷基或苯基、 R，10 为 C 1-10 烷基、 X 是 S 或 0，以及 D 是由 2 -16 个原子组成的链，该链在距离基团 C=X, 2 -6 个原子的位置上带有一个含 O 或 S 的取代基、 及其药学上可接受的盐、酯和酰胺、 还描述了制造这些化合物和药物制剂（例如用于治疗高血压）的方法。
• Pyrazolopyrimidinone compounds and uses thereof
  申请人：Aduro BioTech, Inc.

  公开号：US10738056B2

  公开（公告）日：2020-08-11

  The present invention relates to pyrazolopyrimidinone compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating autoimmune, inflammatory, and neurodegenerative diseases by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

  本发明涉及吡唑嘧啶酮化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向有需要的受试者施用这些化合物和药物组合物来治疗自身免疫性、炎症性和神经退行性疾病的方法。本发明还涉及将这些化合物用于研究或其他非治疗目的。
• PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF
  申请人：Aduro BioTech, Inc.

  公开号：US20190119285A1

  公开（公告）日：2019-04-25

  The present invention relates to pyrazolopyrimidinone compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating autoimmune, inflammatory, and neurodegenerative diseases by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.