cis-4-amino-cyclohexanecarboxylic acid hydrochloride | 118785-97-0

• 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: cis-4-amino-cyclohexanecarboxylic acid hydrochloride
• 英文别名: 4-aminocyclohexane-1-carboxylic acid hydrochloride salt；cis-4-aminocyclohexanecarboxylic acid hydrochloride；cis-4-amino-cyclohexanecarboxylic acid ; hydrochloride；cis-4-Amino-cyclohexancarbonsaeure; Hydrochlorid
• CAS: 118785-97-0
• 化学式: C₇H₁₃NO₂*ClH
• 分子量: 179.647
• InChiKey: HXZSYUOXTKQNNY-KNCHESJLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  63.32
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  cis-4-amino-cyclohexanecarboxylic acid hydrochloride 在 甲醇 、 锂硼氢 、 氯化亚砜 、 三乙酰氧基硼氢化钠 、 二异丁基氢化铝 、 三乙胺 作用下， 以 乙醚 、 正己烷 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 27.75h， 生成 tert-butyl (cis-4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)carbamate
  参考文献：
  名称：

  D₂ Dopamine Receptor G Protein-Biased Partial Agonists Based on Cariprazine

  摘要：

  Functionally selective G protein-coupled receptor ligands are valuable tools for deciphering the roles of downstream signaling pathways that potentially contribute to therapeutic effects versus side effects. Recently, we discovered both G(i/o)-biased and beta-arrestin2-biased D-2 receptor agonists based on the Food and Drug Administration (FDA)-approved drug aripiprazole. In this work, based on another FDA-approved drug, cariprazine, we conducted a structure-functional selectivity relationship study and discovered compound 38 (MS1768) as a potent partial agonist that selectively activates the G(i/o) pathway over beta-arrestin2. Unlike the dual D2R/D3R partial agonist cariprazine, compound 38 showed selective agonist activity for D2R over D3R. In fact, compound 38 exhibited potent antagonism of dopamine-stimulated beta-arrestin2 recruitment. In our docking studies, compound 38 directly interacts with S193(5.42) on TM5 but has no interactions with extracellular loop 2, which appears to be in contrast to the binding poses of D2R beta-arrestin2-biased ligands. In in vivo studies, compound 38 showed high D2R receptor occupancy in mice and effectively inhibited phencyclidine-induced hyperlocomotion.

  DOI：

  10.1021/acs.jmedchem.9b00508
• 作为产物：
  描述：

  4-氨基环己甲酸甲酯盐酸盐 在 盐酸 作用下， 以 水 为溶剂， 生成 cis-4-amino-cyclohexanecarboxylic acid hydrochloride
  参考文献：
  名称：

  2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide

  摘要：

  本发明涉及新颖的2-巯甲基四氢萘衍生物，这些衍生物作为脑啡肽酶抑制剂具有用途。

  公开号：

  US05252601A1

文献信息

• Glutaramide diuretic agents
  申请人：Pfizer Inc.

  公开号：US05030654A1

  公开（公告）日：1991-07-09

  A series of novel spiro-substituted glutaramide derivatives have been prepared, including the pharmaceutically acceptable salts thereof and bioprecursors therefor, wherein the spiro-substituent completes a 5- or 6-membered carbocycyclic ring and is located at the carbon atom adjacent to the carbamoyl group. These particular compounds are inhibitors of the neutral endopeptidase E.C.3.4.24.11 enzyme and are therefore useful in therapy as diuretic agents for the treatment of hypertension, heart failure, renal insufficiency and other disorders. Methods for preparing these compounds from known starting materials are provided.

  已制备了一系列新颖的螺环取代谷氨酰胺衍生物，包括其药用可接受盐和生物前体，其中螺环取代基完成一个5-或6-成员碳环，并位于相邻于羰胺基团的碳原子上。这些特定化合物是中性内切肽酶E.C.3.4.24.11酶的抑制剂，因此在治疗高血压、心力衰竭、肾功能不全和其他疾病中作为利尿剂剂而有用。提供了从已知起始物质制备这些化合物的方法。
• Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE)
  申请人：Bischoff Paul Francois

  公开号：US20060178383A1

  公开（公告）日：2006-08-10

  The present invention is directed to novel 2-amino-3,4-dihydro-quinazoline derivatives, pharmaceutical compositions containing them and their use in the treatment of Alzheimer's disease (AD) and related disorders. The compounds of the invention are inhibitors of β-secretase, also known as β-site cleaving enzyme and BACE.

  本发明涉及新型2-氨基-3,4-二氢喹唑啉衍生物、含有它们的制药组合物以及它们在治疗阿尔茨海默病（AD）和相关疾病中的应用。本发明的化合物是β-秘鲁酶的抑制剂，也称为β-位点裂解酶和BACE。
• Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0516980A1

  公开（公告）日：1992-12-09

  The present invention relates to novel 2-mercaptomethylene-tetrahydronaphthalene derivatives which are useful as enkephalinase inhibitors.

  本发明涉及可用作脑啡肽酶抑制剂的新型 2-巯基亚甲基四氢萘衍生物。
• Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith
  申请人：Signal Pharmaceuticals, LLC

  公开号：US10398700B2

  公开（公告）日：2019-09-03

  Provided herein are Aminopurine Compounds having the following structures: wherein R1, R2, and R3 are as defined herein, compositions comprising an effective amount of an Aminopurine Compound, and methods for treating or preventing a cancer, for example, melanoma.

  本文提供了具有以下结构的氨基嘌呤化合物： 其中 R1、R2 和 R3 如本文所定义，包含有效量氨基嘌呤化合物的组合物，以及治疗或预防癌症（例如黑色素瘤）的方法。
• Spiro-subsituted glutaramide diuretic agents
  申请人：Pfizer Limited

  公开号：EP0274234B1

  公开（公告）日：1991-09-11