2-(cyclopropanecarbonyl)-N-methylhydrazinecarbothioamide | 501661-93-4

• 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: 2-(cyclopropanecarbonyl)-N-methylhydrazinecarbothioamide
• 英文别名: 1-(cyclopropanecarbonylamino)-3-methylthiourea
• CAS: 501661-93-4
• 化学式: C₆H₁₁N₃OS
• mdl: MFCD03943141
• 分子量: 173.239
• InChiKey: LJTAERMMWHNPGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  85.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(cyclopropanecarbonyl)-N-methylhydrazinecarbothioamide 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 生成 5-环丙基-4-甲基-4H-1,2,4-噻唑-3-硫醇
  参考文献：
  名称：

  发现作为有效 11β-羟基类固醇脱氢酶 1 型抑制剂的金刚烷基杂环酮

  摘要：

  11β-羟基类固醇脱氢酶 1 (11β-HSD1) 在将细胞内可的松转化为生理活性皮质醇方面起着关键作用，这与代谢综合征的几种表型的发展有关。用选择性抑制剂抑制 11β-HSD1 活性对包括糖尿病、血脂异常和肥胖症在内的各种疾病具有有益影响，因此构成了发现代谢和心血管疾病新疗法的有希望的策略。一系列新型金刚烷基杂环酮提供了有效且选择性的人 11β-HSD1 抑制剂。先导化合物对人和小鼠 11β-HSD1 显示出低纳摩尔抑制，并且具有选择性，对 11β-HSD2 和 17β-HSD1 没有活性。

  DOI：

  10.1002/cmdc.201100144
• 作为产物：
  描述：

  环丙甲酰肼 、 异硫氰酸甲酯 以 乙醇 为溶剂， 生成 2-(cyclopropanecarbonyl)-N-methylhydrazinecarbothioamide
  参考文献：
  名称：

  Identifying new lead structures to enhance tolerance towards drought stress via high-throughput screening giving crops a quantum of solace

  摘要：

  Novel synthetic lead structures interacting with RCAR/(PYR/PYL) receptor proteins were identified based on the results of a high-throughput screening campaign of a large compound library followed by focused SAR studies of the three most promising hit clusters. Whilst indolinylmethyl sulfonamides 8y,z and phenylsulfonyl ethylenediamines 9y,z showed strong affinities for RCAR/ (PYR/PYL) receptor proteins in wheat, thiotriazolyl acetamides 7f,s exhibited promising efficacy against drought stress in vivo (wheat, corn and canola) combined with confirmed target interaction in wheat and arabidopsis thaliana. Remarkably, binding affinities of several representatives of 8 and 9 were on the same level or even better than the essential plant hormone abscisic acid (ABA).

  DOI：

  10.1016/j.bmc.2019.115142

文献信息

• COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE
  申请人：Vicker Nigel

  公开号：US20110112151A1

  公开（公告）日：2011-05-12

  There is provided a compound of formula R 1 —CO—X—Y—Z—R 2 wherein X and Z are each optional groups that are, independently, saturated or unsaturated carbon chains having a length of 1 to 3 carbons; Y is SO, S, SO 2 , CH═CH, CH 2 CH 2 or O; R 1 is wherein denotes the point of attachment; R 2 is a heteroaryl group comprising an optionally substituted 5 or 6 membered ring, which ring contains only carbon and at least one nitrogen, or contains only carbon, and at least two nitrogens and at least one sulfur; and wherein (i) when R 1 is and —CO—X—Y—Z— is CO—CH 2 —SO, CO—CH 2 —S, or CO—CH 2 —SO 2 , R 2 is other than and; (ii) when R 1 is and —CO—X—Y—Z— is —CO—CH 2 —O—, R 2 is other than

  提供了一个化合物的公式R1—CO—X—Y—Z—R2，其中X和Z是可选的基团，它们分别是具有1至3个碳原子的饱和或不饱和碳链；Y是SO、S、SO2、CH═CH、CH2CH2或O；R1是其中的连接点；R2是一个杂环基团，包括一个可选取代的5或6元环，该环仅包含碳和至少一个氮，或仅包含碳、至少两个氮和至少一个硫；其中(i)当R1是且—CO—X—Y—Z—为CO—CH2—SO、CO—CH2—S或CO—CH2—SO2时，R2不是和；(ii)当R1是且—CO—X—Y—Z—为—CO—CH2—O—时，R2不是。
• VERWENDUNG VON SUBSTITUIERTEN THIO-1,2,4-TRIAZOLEN ZUR STEIGERUNG DER STRESSTOLERANZ IN PFLANZEN
  申请人：Bayer CropScience AG

  公开号：EP3210469A1

  公开（公告）日：2017-08-30

  Die Erfindung betrifft die Verwendung substituierter Thio-1,2,4-triazole oder deren Salze wobei die Reste und Indizes in der allgemeinen Formel (I) den in der Beschreibung gegebenen Definitionen entsprechen, zur Steigerung der Stresstoleranz in Pflanzen gegenüber abiotischem Stress und/oder zur Erhöhung des Pflanzenertrags.

  本发明涉及取代的硫代-1,2,4-三唑或其盐类的用途 其中通式（I）中的基团和指数与描述中给出的定义相对应、 用于提高植物对非生物胁迫的耐受性和/或增加植物产量。
• 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Sterix Limited

  公开号：EP2257528A2

  公开（公告）日：2010-12-08
• [EN] COMPOUND<br/>[FR] COMPOSÉ
  申请人：STERIX LTD

  公开号：WO2009106817A2

  公开（公告）日：2009-09-03

  There is provided a compound of formula R1-CO-X-Y-Z-R2 wherein X and Z are each optional groups independently selected from saturated or unsaturated carbon chains having a length of 1 to 3 carbons; Y is SO, S, SO2, CH=CH, CH2CH2 or O; R1 is selected from the following groups (A) wherein - - - denotes the point of attachment; R2 is a heteroaryl group comprising an optionally substituted 5 or 6 membered ring, which ring contains only carbon and at least one nitrogen, or contains only carbon, and at least two nitrogens and at least one sulphur; and wherein (i) when R1 is group (B) and -CO-X-Y-Z- is CO-CH2-SO, CO-CH2-S, or CO-CH2-SO2, R2 is other than group (C) and; (ii) when R1 is group (D) and -CO-X-Y-Z- is -CO-CH2-O-, R2 is other than group (E).
• Discovery of Adamantyl Heterocyclic Ketones as Potent 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
  作者：Xiangdong Su、Nigel Vicker、Mark P. Thomas、Fabienne Pradaux-Caggiano、Heather Halem、Michael D. Culler、Barry V. L. Potter

  DOI：10.1002/cmdc.201100144

  日期：2011.8.1

  therapies for metabolic and cardiovascular diseases. A series of novel adamantyl heterocyclic ketones provides potent and selective inhibitors of human 11β‐HSD1. Lead compounds display low nanomolar inhibition against human and mouse 11β‐HSD1 and are selective with no activity against 11β‐HSD2 and 17β‐HSD1. Selected potent 11β‐HSD1 inhibitors show moderate metabolic stability upon incubation with human liver

  11β-羟基类固醇脱氢酶 1 (11β-HSD1) 在将细胞内可的松转化为生理活性皮质醇方面起着关键作用，这与代谢综合征的几种表型的发展有关。用选择性抑制剂抑制 11β-HSD1 活性对包括糖尿病、血脂异常和肥胖症在内的各种疾病具有有益影响，因此构成了发现代谢和心血管疾病新疗法的有希望的策略。一系列新型金刚烷基杂环酮提供了有效且选择性的人 11β-HSD1 抑制剂。先导化合物对人和小鼠 11β-HSD1 显示出低纳摩尔抑制，并且具有选择性，对 11β-HSD2 和 17β-HSD1 没有活性。