4-cyclohexylaminobutyric acid methyl ester | 60169-42-8

• 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: 4-cyclohexylaminobutyric acid methyl ester
• 英文别名: Methyl 4-(cyclohexylamino)butanoate
• CAS: 60169-42-8
• 化学式: C₁₁H₂₁NO₂
• 分子量: 199.293
• InChiKey: ONYDKQYVBIRQSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-benzo[b]thiophene-3-carbonyl)-2-methylazetidine-2-carboxylic acid 、 4-cyclohexylaminobutyric acid methyl ester 在 1-氯-N,N,2-三甲基丙烯胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Discovery and Optimization of an Azetidine Chemical Series As a Free Fatty Acid Receptor 2 (FFA2) Antagonist: From Hit to Clinic

  摘要：

  FFA2, also called GPR43, is a G-protein coupled receptor for short chain fatty acids which is involved in the mediation of inflammatory responses. A class of azetidines was developed as potent FFA2 antagonists. Multiparametric optimization of early hits with moderate potency and suboptimal ADME properties led to the identification of several compounds with nanomolar potency on the receptor combined with excellent pharmacokinetic (PK) parameters. The most advanced compound, 4-[[(R)-1-(benzo[b]thiophene-3-carbonyl)-2-methyl-azetidine-2-carbonyl]-(3-chloro-benzyl)-amino]-butyric acid 99 (GLPG0974), is able to inhibit acetate-induced neutrophil migration strongly in vitro and demonstrated ability to inhibit a neutrophil-based pharmacodynamic (PD) marker, CD11b activation-specific epitope [AE], in a human whole blood assay. All together, these data supported the progression of 99 toward next phases, becoming the first FFA2 antagonist to reach the clinic.

  DOI：

  10.1021/jm5012885
• 作为产物：
  描述：

  4-溴巴豆酸甲酯 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 、 正戊烷 为溶剂， 生成 4-cyclohexylaminobutyric acid methyl ester
  参考文献：
  名称：

  Leung,H.-K. et al., Journal of Heterocyclic Chemistry, 1976, vol. 13, p. 247 - 252

  摘要：

  DOI：

文献信息

• [EN] PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDINE COMME INHIBITEURS DE PROTÉINE KINASES
  申请人：CYCLACEL LTD

  公开号：WO2009040556A1

  公开（公告）日：2009-04-02

  The present invention relates to a compound of formula (VII)I, or a pharmaceutically acceptable salt or ester thereof, wherein: X is NR7; Y is O or N-(CH2)nR19; n is 1, 2 or 3; m is 1 or 2; R1 and R2 are each independently H, alkyl or cycloalkyl; R4 and R4' are each independently H or alkyl; or R4 and R4' together form a spiro cycloalkyl group; R19 is H, alkyl, aryl or a cycloalkyl group; R6 is OR8 or halogen; and R7 and R8 are each independently H or alkyl. Further aspects relate to pharmaceutical compositions comprising said compounds and use therefore in the treatment of proliferative disorders and the like.

  本发明涉及公式(VII)I的化合物，或其药学上可接受的盐或酯，其中：X为NR7；Y为O或N-(CH2)nR19；n为1、2或3；m为1或2；R1和R2分别独立地为H、烷基或环烷基；R4和R4'分别独立地为H或烷基；或者R4和R4'一起形成螺环烷基基团；R19为H、烷基、芳基或环烷基基团；R6为OR8或卤素；而R7和R8各自独立地为H或烷基。进一步方面涉及包括上述化合物的药物组合物以及其在治疗增殖性疾病等方面的用途。
• 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS
  申请人：Cubist Pharmaceuticals, Inc.

  公开号：US20130296290A1

  公开（公告）日：2013-11-07

  β-Lactamase inhibitor compounds (BLIs) are disclosed, including compounds that have activity against class A, class C or class D β-lactamases. Methods of manufacturing the BLIs, and uses of the compounds in the preparation of pharmaceutical compositions and antibacterial applications are also disclosed.

  本文披露了β-内酰胺酶抑制剂化合物（BLIs），其中包括对A类、C类或D类β-内酰胺酶具有活性的化合物。本文还披露了制造BLIs的方法，以及在制备药物组合物和抗菌应用中使用这些化合物的方法。
• BETA-LACTAMASE INHIBITORS
  申请人：CUBIST PHARMACEUTICALS, INC.

  公开号：US20140315876A1

  公开（公告）日：2014-10-23

  β-Lactamase inhibitor compounds (BLIs) are disclosed, including compounds that have activity against class A, class C or class D β-lactamases. Methods of manufacturing the BLIs, and uses of the compounds in the preparation of pharmaceutical compositions and antibacterial applications are also disclosed.

  本文披露了β-内酰胺酶抑制剂化合物（BLIs），其中包括对A类、C类或D类β-内酰胺酶具有活性的化合物。还披露了制造BLIs的方法以及在制备药物组合物和抗菌应用中使用该化合物的用途。
• PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  申请人：Cyclacel Limited

  公开号：EP2205603A1

  公开（公告）日：2010-07-14
• US8933232B2
  申请人：——

  公开号：US8933232B2

  公开（公告）日：2015-01-13