N-(1,3-thiazol-4-ylmethyl)cyclopropylamine | 1004317-41-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(1,3-thiazol-4-ylmethyl)cyclopropylamine
• 英文别名: N-(1,3-thiazol-4-ylmethyl)cyclopropanamine
• CAS: 1004317-41-2
• 化学式: C₇H₁₀N₂S
• mdl: MFCD14587252
• 分子量: 154.236
• InChiKey: HXLIMLRPABFKPM-UHFFFAOYSA-N

物化性质

• 沸点：
  261.9±15.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(1,3-thiazol-4-ylmethyl)cyclopropylamine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 N,N'-羰基二咪唑 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 thiazol-5-ylmethyl N-[(1R,4R)-1-benzyl-4-[[(2S)-2-[[cyclopropyl(thiazol-4-ylmethyl)carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
  参考文献：
  名称：

  Structure–activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers. Part II: P2/P3 region and discovery of cobicistat (GS-9350)

  摘要：

  The HIV protease inhibitor (PI) ritonavir (RTV) has been widely used as a pharmacoenhancer for other PIs, which are substrates of cytochrome P450 3A (CYP3A). However the potent anti-HIV activity of ritonavir may limit its use as a pharmacoenhancer with other classes of anti-HIV agents. Ritonavir is also associated with limitations such as poor physicochemical properties. To address these issues a series of compounds with replacements at the P2 and/or P3 region was designed and evaluated as novel CYP3A inhibitors. Through these efforts, a potent and selective inhibitor of CYP3A, GS-9350 (cobicistat) with improved physiochemical properties was discovered. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.057
• 作为产物：
  描述：

  4-氯甲基噻唑盐酸盐 、 环丙胺 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 20.0h， 以32%的产率得到N-(1,3-thiazol-4-ylmethyl)cyclopropylamine
  参考文献：
  名称：

  WO2008/15189

  摘要：

  公开号：

文献信息

• FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES
  申请人：Dunkel Ralf

  公开号：US20090326016A1

  公开（公告）日：2009-12-31

  The present invention relates to N-cycloalkyl-thiocarboxamide or N-cycloalkyl-N-substituted carboximidamide derivatives of formula (I) wherein A and B represent a 5-membered heterocyclyl groups, T represents an oxygen, sulphur or amino derivatives, Z 1 represents a cycloalkyl group and Z 2 and Z 3 represent various substituents, their process of preparation, their use as fungicide active agents, particularly in the form of fungicide compositions, and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及公式（I）中的N-环烷基硫代甲酰胺或N-环烷基-N-取代羧酰亚胺衍生物，其中A和B代表5-成员杂环基团，T代表氧、硫或氨基衍生物，Z1代表环烷基团，Z2和Z3代表各种取代基，其制备方法，其用作杀真菌活性剂，特别是作为杀真菌组合物的形式，以及使用这些化合物或组合物控制植物病原真菌，尤其是植物的方法。
• Fungicidal N-cycloalkyl-carboxamide derivatives
  申请人：Bayer Cropscience AG

  公开号：US08026195B2

  公开（公告）日：2011-09-27

  The present invention relates to N-cycloalkyl-thiocarboxamide or N-cycloalkyl-N-substituted carboximidamide derivatives of formula (I) wherein A and B represent a 5-membered heterocyclyl groups, T represents an oxygen, sulphur or amino derivatives, Z1 represents a cycloalkyl group and Z2 and Z3 represent various substituents, their process of preparation, their use as fungicide active agents, particularly in the form of fungicide compositions, and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及公式（I）中的N-环烷基硫代甲酰胺或N-环烷基-N-取代羧酰亚胺衍生物，其中A和B代表5-成员杂环基团，T代表氧、硫或氨基衍生物，Z1代表环烷基团，Z2和Z3代表不同的取代基，它们的制备方法，它们作为杀真菌活性剂的用途，特别是作为真菌杀剂组合物的形式，以及使用这些化合物或组合物控制植物病原真菌，尤其是植物的方法。
• WO2008/10921
  申请人：——

  公开号：——

  公开（公告）日：——
• MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS
  申请人：Gilead Sciences, Inc.

  公开号：EP2118082B1

  公开（公告）日：2014-10-01
• Modulators of pharmacokinetic properties of therapeutics
  申请人：GILEAD SCIENCES, INC.

  公开号：EP2487162B1

  公开（公告）日：2016-08-17