Benzyl-cis-4-aminocyclohexancarboxylat | 67299-44-9

• 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: Benzyl-cis-4-aminocyclohexancarboxylat
• 英文别名: benzyl(1s,4s)-4-aminocyclohexane-1-carboxylate
• CAS: 67299-44-9
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: VUPFWCRTJAOTKD-BETUJISGSA-N

物化性质

• 沸点：
  342.9±35.0 °C(Predicted)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.32
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(2-tert-butoxycarbonyl-pentyl)cyclopentanecarboxylic acid 、 Benzyl-cis-4-aminocyclohexancarboxylat 在 N-甲基吗啉 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 4-{[1-(2-tert-Butoxycarbonyl-pentyl)-cyclopentanecarbonyl]-amino}-cyclohexanecarboxylic acid benzyl ester
  参考文献：
  名称：

  Novel Selective Inhibitors of Neutral Endopeptidase for the Treatment of Female Sexual Arousal Disorder. Synthesis and Activity of Functionalized Glutaramides

  摘要：

  Female sexual arousal disorder (FSAD) is a highly prevalent sexual disorder affecting up to 40% of women. We describe herein our efforts to identify a selective neutral endopeptidase (NEP) inhibitor as a potential treatment for FSAD. The rationale for this approach, together with a description of the medicinal chemistry strategy, lead compounds, and SAR investigations are detailed. In particular, the strategy of starting with the clinically precedented selective NEP inhibitor, Candoxatrilat, and targeting low molecular weight and relatively polar mono-carboxylic acids is described. This led ultimately to the prototype development candidate R-13, for which detailed pharmacology and pharmacokinetic parameters are presented.(1)

  DOI：

  10.1021/jm060133g
• 作为产物：
  描述：

  Cis-4-(Boc-Amino)Cyclohexanecarboxylic Acid 在 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 Benzyl-cis-4-aminocyclohexancarboxylat
  参考文献：
  名称：

  [EN] ORGANIC ARSENIC-BASED TYPE II PYRUVATE KINASE INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] INHIBITEUR DE LA PYRUVATE KINASE DE TYPE II À BASE D'ARSENIC ORGANIQUE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一类基于有机砷的II型丙酮酸激酶抑制剂及其制备方法和用途

  摘要：

  本发明提供了一种基于有机砷的II型丙酮酸激酶抑制剂及其制备方法和用途。具体地，本发明的PKM2抑制剂为式I化合物、或其药学上可接受的盐、或其立体异构体或互变异构体、水合物或溶剂化物；其中，X1、X2、R1、R2、R3、R4、R5和n如说明书所定义。本发明的化合物对PKM2具有高抑制活性和高特异性，非常适合用于制备通过抑制PKM2通路从而抑制肿瘤的药物。

  公开号：

  WO2021254254A1
• 作为试剂：
  描述：

  1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-(2-methoxyethoxymethyl)-3-oxopropyl]cyclopentane-1-carboxylic acid 、 Benzyl-cis-4-aminocyclohexancarboxylat 在 Benzyl-cis-4-aminocyclohexancarboxylat 作用下， 以86的产率得到
  参考文献：
  名称：

  Enantiomeric glutaramide diuretic agents

  摘要：

  公开号：

  EP0342850B1

文献信息

• VLA-4 inhibitor compounds
  申请人：Daiichi Pharmaceutical Co., LTD.

  公开号：US20030078249A1

  公开（公告）日：2003-04-24

  Compounds that selectively inhibit the binding of ligands to &agr;4&bgr;1 integrin (VLA-4) and methods for their preparation are disclosed. In one embodiment, compounds of the invention are represented by Formula I: 1 As selective inhibitors of VLA-4 mediated cell adhesion, compounds of the present invention are useful in the treatment of conditions associated with such adhesion, including, but not limited to, such conditions as inflammatory and autoimmune responses, diabetes, asthma, psoriasis, inflammatory bowel disease, transplantation rejection, and tumor metastasis. Also disclosed are pharmaceutical compositions, methods of inhibiting VLA-4 mediated cell adhesion and methods of treating conditions associated with LA-4 mediated cell adhesion, which involve compounds of Formula I.

  本发明公开了选择性抑制配体与α4β1整合素（VLA-4）结合的化合物及其制备方法。在一个实施例中，本发明的化合物由式I表示： 1 作为VLA-4介导的细胞粘附的选择性抑制剂，本发明的化合物可用于治疗与该粘附相关的疾病，包括但不限于炎症和自身免疫反应、糖尿病、哮喘、银屑病、炎症性肠病、移植排斥和肿瘤转移。还公开了包含式I化合物的药物组合物、抑制VLA-4介导的细胞粘附的方法以及治疗与VLA-4介导的细胞粘附相关疾病的方法。
• Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists
  申请人：DeVita J. Robert

  公开号：US20080076783A1

  公开（公告）日：2008-03-27

  The present invention is directed to certain piperidine compounds which are useful as neurokinin-1 (NK-1) receptor antagonists, and inhibitors of tachykinin and in particular substance P. The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.

  本发明涉及某些哌啶化合物，其作为神经激肽-1（NK-1）受体拮抗剂和快速激肽，特别是物质P的抑制剂是有用的。本发明还涉及包含这些化合物作为活性成分的制药配方，并且涉及将这些化合物及其配方用于治疗某些疾病，包括呕吐、尿失禁、抑郁症和焦虑症。
• NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE)
  申请人：Baxter E. Ellen

  公开号：US20070259898A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine 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, BACE1, Asp2 and memapsin2.

  本发明涉及新颖的2-氨基-3,4-二氢-吡啶[3,4-d]嘧啶衍生物，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-分泌酶的抑制剂，也称为β-位点剪切酶和BACE，BACE1，Asp2和memapsin2。
• 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION
  申请人：JONES Clifford

  公开号：US20100063049A1

  公开（公告）日：2010-03-11

  Compounds of formula (I): which possess cell-cycle inhibitory activity are described.

  本文描述了具有细胞周期抑制活性的化合物，其化学式为（I）。
• 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE)
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US07531545B2

  公开（公告）日：2009-05-12

  The present invention is directed to novel 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine 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, BACE1, Asp2 and memapsin2.

  本发明涉及新型2-氨基-3,4-二氢-吡啶[3,4-d]嘧啶衍生物，包含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-分泌酶的抑制剂，也称为β-位点剪切酶和BACE、BACE1、Asp2和memapsin2。