(1R,2R)-2-N-methylcyclohexane-1,2-diamine | 942435-49-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1R,2R)-2-N-methylcyclohexane-1,2-diamine
• CAS: 942435-49-6
• 化学式: C₇H₁₆N₂
• 分子量: 128.217
• InChiKey: UZFSSDLWBZWJRU-RNFRBKRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1R,2R)-2-N-methylcyclohexane-1,2-diamine 、 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid 在 fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-((1R,2R)-2-(methylamino)cyclohexyl)-1H-imidazole-4-carboxamide
  参考文献：
  名称：

  Optimization of imidazole amide derivatives as cannabinoid-1 receptor antagonists for the treatment of obesity

  摘要：

  Several imidazole-based cyclohexyl amides were identified as potent CB-1 antagonists, but they exhibited poor oral exposure in rodents. Incorporation of a hydroxyl moiety on the cyclohexyl ring provided a dramatic improvement in oral exposure, together with a ca. 10-fold decrease in potency. Further optimization provided the imidazole 2-hydroxy-cyclohexyl amide 45, which exhibited hCB-1 K-i = 3.7 nM and caused significant appetite suppression and robust, dose-dependent reduction of body weight gain in industry-standard rat models. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.011
• 作为产物：
  描述：

  7-甲基-7-氮杂-双环[4.1.0]庚烷 在 ammonium hydroxide 、 氯化铵 作用下， 生成 (1R,2R)-2-N-methylcyclohexane-1,2-diamine
  参考文献：
  名称：

  Winternitz et al., Bulletin de la Societe Chimique de France, 1956, p. 382,387,1827

  摘要：

  DOI：

文献信息

• [EN] TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS<br/>[FR] INHIBITEURS TRICYCLIQUES DE GYRASE UTILISABLES COMME AGENTS ANTIBACTÉRIENS
  申请人：TRIUS THERAPEUTICS INC

  公开号：WO2014043272A1

  公开（公告）日：2014-03-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. In addition, species of tricyclic gyrase inhibitors compounds are also disclosed herein. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有化学式I结构的化合物及其药用盐、酯和前药，这些化合物可用作抗菌有效的三环酶抑制剂。此外，本文还披露了三环酶抑制剂化合物的种属。还考虑了相关的药用组合物、用途和制备这些化合物的方法。
• [EN] IRE1α MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE IRE1α ET LEURS UTILISATIONS
  申请人：NIMBUS IASO INC

  公开号：WO2021158516A1

  公开（公告）日：2021-08-12

  The present invention provides compounds, compositions thereof, and methods of using the same for the modulation of IRE1α, and the treatment of IRE1α-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物调节IRE1α并治疗IRE1α介导的疾病的方法。
• TRICYCLIC GYRASE INHIBITORS
  申请人：Bensen Daniel

  公开号：US20120238751A1

  公开（公告）日：2012-09-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有式I结构的化合物，以及作为抗菌有效的三环酶抑制剂的药用盐、酯和前药，相关的药物组合物、用途和制备该化合物的方法也在考虑之中。
• Iron(III) Salalen Complexes for the Polymerisation of Lactide
  作者：Oliver J. Driscoll、Christopher K. C. Leung、Mary F. Mahon、Paul McKeown、Matthew D. Jones

  DOI：10.1002/ejic.201801239

  日期：2018.12.19

  Herein, we report the preparation and characterisation of iron(III) salalen complexes, with variation of ligand substituents and backbone investigated. Six new complexes were prepared and characterised by elemental analysis, mass spectrometry and X‐ray crystallography. These complexes have been applied for the ring opening polymerisation (ROP) of rac‐lactide in propylene oxide. Fe(1)Cl was found to

  在本文中，我们报告了铁（III）Salalen配合物的制备和表征，并研究了配体取代基和主链的变化。制备了六种新的配合物，并通过元素分析，质谱和X射线晶体学进行了表征。这些络合物已被用于环氧丙交酯中的rac-丙交酯的开环聚合（ROP）。发现Fe（1）Cl具有中等等规度偏爱（P m = 0.75–0.80），并在溶液中表现出良好的分子量控制（Đ= 1.02-1.18）。Fe（2-7）Cl对ROP也有活性，其活性可能与配体结构有关。
• Pyrimidinones as factor XIa inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US10336754B2

  公开（公告）日：2019-07-02

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of FXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式 (I) 的化合物： 或其立体异构体、同系物或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性因子 XIa 抑制剂或 FXIa 和血浆钙激酶的双重抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗血栓栓塞性和/或炎症性疾病的方法。