1-aminocyclohexanecarbonyl chloride hydrochloride

• 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: 1-aminocyclohexanecarbonyl chloride hydrochloride
• 英文别名: 1-aminocyclohexane-1-carbonyl chloride hydrochloride；1-amino-1-cyclohexancarboxylic acid chloride hydrochloride；1-aminocyclohexanecarboxylic acid chloride hydrochloride；1-aminocyclohexane-1-carbonyl chloride;hydron;chloride
• 化学式: C₇H₁₂ClNO*ClH
• 分子量: 198.092
• InChiKey: SECQGFHGEVFPTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  43.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-aminocyclohexanecarbonyl chloride hydrochloride 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 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 14.0h， 生成 N-(3,4-dimethoxyphenyl)-1-(3-(4-methyl-1H-imidazol-1-yl)propionamido)cyclohexane-1-carboxamide
  参考文献：
  名称：

  一种谷氨酰胺酰基环化酶抑制剂及其制备方法与应用

  摘要：

  本发明提供了一种谷氨酰胺酰基环化酶抑制剂及其制备方法与应用，其中，所述谷氨酰胺酰基环化酶抑制剂为一种具有新型骨架结构的化合物本发明提供了该类新骨架谷氨酰胺酰基环化酶抑制剂的制备方法，原料易得，制备方法简单可行。本发明提供的新型抑制剂显著扩大了谷氨酰胺酰基环化酶抑制剂的分子结构多样性，可广泛应用于制备治疗谷氨酰胺酰基环化酶特异性高表达相关疾病的药物和应用于制备诊断谷氨酰胺酰基环化酶特异性高表达相关疾病的试剂盒。

  公开号：

  CN114957127B
• 作为产物：
  描述：

  1-氨基-1-环己烷羧酸盐酸盐 在 五氯化磷 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以91%的产率得到1-aminocyclohexanecarbonyl chloride hydrochloride
  参考文献：
  名称：

  Lysosomotropism of Basic Cathepsin K Inhibitors Contributes to Increased Cellular Potencies against Off-Target Cathepsins and Reduced Functional Selectivity

  摘要：

  The lysosomal cysteine protease cathepsin K is a target for osteoporosis therapy. The arylpiperazine-containing cathepsin K inhibitor CRA-013783/L-006235 (1) displays greater than 4000-fold selectivity against the lysosomal/endosomal antitargets cathepsin B, L, and S. However, 1 and other aryl-piperazine-containing analogues, including balicatib (10), are similar to 10-100-fold more potent in cell-based enzyme occupancy assays than against each purified enzyme. This phenomenon arises from their basic, lipophilic nature, which results in lysosomal trapping. Consistent with its lysosomotropic nature, 1 accumulates in cells and in rat tissues of high lysosome content. In contrast, nonbasic aryl-morpholino-containing analogues do not exhibit lysosomotropic properties. Increased off-target activities of basic cathepsin K inhibitors were observed in a cell-based cathepsin S antigen presentation assay. No potency increases of basic inhibitors in a functional cathepsin K bone resorption whole cell assay were detected. Therefore, basic cathepsin K inhibitors, such as 1, suffer from reduced functional selectivities compared to those predicted using purified enzyme assays.

  DOI：

  10.1021/jm0504961

文献信息

• [EN] BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS<br/>[FR] BENZOFUROPYRIMIDINONES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：EXELIXIS INC

  公开号：WO2009086264A1

  公开（公告）日：2009-07-09

  A compound according to formula I: or a pharmaceutically acceptable salt thereof; wherein R1, R2, R3a, R3b, R3c and R3d are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  根据公式I的化合物：或其药用可接受盐；其中R1、R2、R3a、R3b、R3c和R3d如规范中所定义，以及其药物组合物和使用方法。
• Benzofuropyrimidinones
  申请人：Brown S. David

  公开号：US20090247559A1

  公开（公告）日：2009-10-01

  A compound according to formula I: or a pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3a , R 3b , R 3c and R 3d are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  公式I所示的化合物或其药学上可接受的盐；其中R1、R2、R3a、R3b、R3c和R3d如规范中所定义，以及其药物组合物和使用方法。
• A Convenient New Route to Tetradentate and Pentadentate Macrocyclic Tetraamide Ligands
  作者：Leonard C. Rorrer、Stephen D. Hopkins、Michele K. Connors、Daniel W. Lee、Matthew V. Smith、Hilary J. Rhodes、Erich S. Uffelman

  DOI：10.1021/ol990155f

  日期：1999.10.1

  [GRAPHICS]A crucial diamide diamine intermediate in the synthesis of tetradentate macrocyclic tetraamide ligands protected against oxidative decomposition has been synthesized without the use of potentially hazardous organic azide intermediates. This intermediate has also been used to synthesize a new class of pentadentate macrocyclic tetraamide ligands.
• BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS
  申请人：Exelixis, Inc.

  公开号：EP2097419A1

  公开（公告）日：2009-09-09
• US3933810A
  申请人：——

  公开号：US3933810A

  公开（公告）日：1976-01-20