甲基1-(氨基甲基)环戊烷羧酸酯 | 99092-03-2

• 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
• 中文名称: 甲基1-(氨基甲基)环戊烷羧酸酯
• 英文名称: methyl 1-(aminomethyl)cyclopentanecarboxylate
• 英文别名: methyl 1-(aminomethyl)cyclopentane-1-carboxylate
• CAS: 99092-03-2
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: OGHFBRUKGNNLRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基1-(氨基甲基)环戊烷羧酸酯 生成 3,3-Tetramethylen-azetidinon-(2)
  参考文献：
  名称：

  OKANO, KOHJI;MORIMOTO, TOSHIAKI;SEKIYA, MINORU, J. CHEM. SOC. CHEM. COMMUN., 1984, N 13, 883-884

  摘要：

  DOI：
• 作为产物：
  描述：

  (cyclopentylidene(methoxy)methoxy)trimethylsilane 在 甲醇 、 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 生成 甲基1-(氨基甲基)环戊烷羧酸酯
  参考文献：
  名称：

  N，N-双（三甲基甲硅烷基）甲氧基甲基胺，作为+ CH 2 NH 2的简便合成当量：酯的伯氨基甲基化

  摘要：

  酯的α位上伯氨基甲基单元的引入可以通过甲硅烷基三氟甲磺酸酯催化的乙烯酮甲硅烷基缩醛（2）与N，N-双（三甲基甲硅烷基）甲氧基甲基胺（1）的反应来实现。

  DOI：

  10.1039/c39840000883

文献信息

• NOVEL COMPOUNDS
  申请人：HALSALL Christopher Thomas

  公开号：US20080009482A1

  公开（公告）日：2008-01-10

  There is provided a compound of formula (I): processes for the manufacture thereof, pharmaceutical compositions thereof and uses in therapy.

  提供了一个化合物的化学式(I)： 其制备方法，药物组合物以及在治疗中的用途。
• Substituted cycloalkyls as inhibitors of a beta protein production
  申请人：——

  公开号：US20020061874A1

  公开（公告）日：2002-05-23

  This invention relates to novel lactams having the Formula (I): 1 to their pharmaceutical compositions and to their methods of use. These novel compounds inhibit the processing of amyloid precursor protein and, more specifically, inhibit the production of A&bgr;-peptide, thereby acting to prevent the formation of neurological deposits of amyloid protein. More particularly, the present invention relates to the treatment of neurological disorders related to &bgr;-amyloid production such as Alzheimer's disease and Down's Syndrome.

  这项发明涉及具有化学式(I)的新型内酰胺，以及它们的药物组合物和使用方法。这些新型化合物抑制淀粉样前体蛋白的加工，更具体地说，抑制Aβ-肽的产生，从而防止淀粉样蛋白在神经系统中沉积的形成。更具体地，本发明涉及与β-淀粉样蛋白产生相关的神经系统疾病的治疗，如阿尔茨海默病和唐氏综合征。
• Compounds
  申请人：AstraZeneca AB

  公开号：US07709471B2

  公开（公告）日：2010-05-04

  There is provided a compound of formula (I): processes for the manufacture thereof, pharmaceutical compositions thereof and uses in therapy.

  提供了一个公式（I）的化合物：其制造过程，制药组合物及其在治疗中的用途。
• Preparation and Structure ofβ-Peptides Consisting of Geminally Disubstitutedβ2,2- andβ3,3-Amino Acids: A Turn Motif forβ-Peptides
  作者：Dieter Seebach、Stefan Abele、Thierry Sifferlen、Martin Hänggi、Sibylle Gruner、Paul Seiler

  DOI：10.1002/(sici)1522-2675(19981216)81:12<2218::aid-hlca2218>3.0.co;2-0

  日期：1998.12.16

  We report on the synthesis of new and previously described beta-peptides (1-6), consisting of up to twelve beta(2,2-) or beta(3,3)-geminally disubstituted beta-amino acids which do not fit into any of the secondary structural patterns of beta-peptides, hitherto disclosed. The required 2,2- and 3,3-dimethyl derivatives of 3-aminopropanoic acid are readily obtained from 3-methylbut-2-enoic acid and ammonia (Scheme 1) and from Boc-protected methyl 3-aminopropanoate by enolate methylation (Scheme 2). Protected (Boc for solution-, Fmoc for solid-phase syntheses) 1-(aminomethyl)cycloalkanecarboxylic-acid derivatives (with cyclopropane, cyclobutane, cyclopentane, and cyclohexane rings) are obtained from 1-cyanocycloalkanecarboxylates and the corresponding dihaloalkanes (Scheme 3). Fully C-13- and N-15-labeled 3-amino-2,2-dimethylpropanoic-acid derivatives were prepared from the corresponding labeled precursors (see asterixed formula numbers and Scheme 4). Coupling of these amino acids was achieved by methods which we had previously employed for other beta-peptide syntheses ( intermediates 18 - 23). Crystal structures of Boc-protected geminally disubstituted amine acids (16a-d) and of the corresponding tripeptide (23a), as well as NMR and IR spectra of an isotopically labeled beta-hexapeptide (2a*) are presented (Figs. 1-4) and discussed. The tripeptide structure contains a ten-membered H-bonded ring which is proposed to be a turn-forming motif for beta-peptides (Fig. 2).
• Structure-based lead identification of ATP-competitive MK2 inhibitors
  作者：Tjeerd Barf、Allard Kaptein、Sander de Wilde、Ruud van der Heijden、Richard van Someren、Dennis Demont、Carsten Schultz-Fademrecht、Judith Versteegh、Mario van Zeeland、Nicole Seegers、Bert Kazemier、Bas van de Kar、Maaike van Hoek、Jeroen de Roos、Henri Klop、Ruben Smeets、Claudia Hofstra、Jorrit Hornberg、Arthur Oubrie

  DOI：10.1016/j.bmcl.2011.04.018

  日期：2011.6

  MK2 kinase is a promising drug discovery target for the treatment of inflammatory diseases. Here, we describe the discovery of novel MK2 inhibitors using X-ray crystallography and structure-based drug design. The lead has in vivo efficacy in a short-term preclinical model. (C) 2011 Elsevier Ltd. All rights reserved.