1-甲基-4-哌啶乙酸甲酯 | 95533-25-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-甲基-4-哌啶乙酸甲酯
• 中文别名: 2-(1-甲基-4-哌啶基)乙酸甲酯
• 英文名称: methyl 2-(1-methylpiperidin-4-yl)acetate
• 英文别名: 4-(1-Methyl)-piperidylessigsaeuremethylester；N-Methyl-4-(carbomethoxymethylidenyl)piperidine；methyl 1-methyl-4-piperidinoacetate
• CAS: 95533-25-8
• 化学式: C₉H₁₇NO₂
• mdl: MFCD12756507
• 分子量: 171.239
• InChiKey: BMFMUHLTSDBYKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H227,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-甲基-4-哌啶乙酸甲酯 在 草酰氯 、 二异丁基氢化铝 、 二甲基亚砜 、 三乙胺 作用下， 生成 1-甲基-4-哌啶乙醛
  参考文献：
  名称：

  The chemical evolution of N,N-dimethyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethylamine (L-741,604) and analogues: Potent and selective agonists for 5-HT1D receptors

  摘要：

  Optimisation of a series of 5-(heterocyclyl)tryptamines led to the identification of the symmetrically substituted, N-4 linked 1,2,4-triazole as the best indole C-5 substituent for 5-HT1D receptor affinity and selectivity. The triazole (8) is the most potent and selective, orally bioavailable, 5-HT1D receptor agonist identified to date, showing an order of magnitude greater potency than the clinical compound sumatriptan with improved subtype selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00324-1
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 1-甲基-4-哌啶乙酸甲酯
  参考文献：
  名称：

  The chemical evolution of N,N-dimethyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethylamine (L-741,604) and analogues: Potent and selective agonists for 5-HT1D receptors

  摘要：

  Optimisation of a series of 5-(heterocyclyl)tryptamines led to the identification of the symmetrically substituted, N-4 linked 1,2,4-triazole as the best indole C-5 substituent for 5-HT1D receptor affinity and selectivity. The triazole (8) is the most potent and selective, orally bioavailable, 5-HT1D receptor agonist identified to date, showing an order of magnitude greater potency than the clinical compound sumatriptan with improved subtype selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00324-1

文献信息

• SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS
  申请人：DeMong E. Duane

  公开号：US20070197590A1

  公开（公告）日：2007-08-23

  Substituted dipiperidine compounds of Formula (I) or a form thereof, which are CCR2 antagonists and are useful in preventing, treating or ameliorating CCR2 mediated inflammatory syndromes, disorders or diseases in a subject in need thereof.

  Formula (I)中的取代二哌啶化合物或其形式，它们是CCR2拮抗剂，可用于预防、治疗或改善需要的主体中的CCR2介导的炎症综合征、紊乱或疾病。
• [EN] 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES<br/>[FR] DERIVES DE 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE RENINE DANS LE TRAITEMENT DE L'HYPERTENSION, DE MALADIES CARDIOVASCULAIRES OU RENALES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2003093267A1

  公开（公告）日：2003-11-13

  The invention relates to novel 3,9-diazabicyclo[3.3.1]nonene derivatives of formula (I) and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors or renin.

  该发明涉及新型3,9-二氮杂双环[3.3.1]壬烯衍生物（I）及相关化合物，以及它们作为药物组合物中活性成分的用途。该发明还涉及相关方面，包括制备这些化合物的过程、含有这些化合物中的一个或多个的药物组合物，尤其是它们作为肾素抑制剂的用途。
• Substituted 5,11-dihydro-6H-dibenz[b,e]azepin-6-ones and pharmaceutical
  申请人：Dr. Karl Thomae GmbH

  公开号：US04567178A1

  公开（公告）日：1986-01-28

  The invention relates to novel substituted 5,11-dihydro-6H-dibenz[b,e]azepin-6-one of the formula ##STR1## wherein A represents a (1-methyl-4-piperidinyl)-acetyl, (4-methyl-1-piperazinyl)-acetyl, or [(1-methyl-4-piperidinyl)-amino]-carbonyl group, and the acid addition salts thereof, which have valuable pharmacological properties, particularly an ulcer-inhibiting and secretion-inhibiting activity. The compounds of Formula I may be prepared using methods conventionally used for analogous compounds.

  本发明涉及一种新的取代5,11-二氢-6H-二苯并[b,e]氮杂环己酮，其化学式为##STR1##其中A代表（1-甲基-4-哌啶基）-乙酰基，（4-甲基-1-哌嗪基）-乙酰基，或[(1-甲基-4-哌啶基)-氨基]-羰基基团，以及其酸加成盐，具有有价值的药理学性质，特别是抑制溃疡和分泌的活性。式I的化合物可以使用通常用于类似化合物的方法制备。
• [EN] 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS<br/>[FR] DERIVES PYRIMIDINYLE 2,4-BISUSBTITUES UTILES EN TANT QU'AGENTS ANTICANCEREUX
  申请人：AMGEN INC

  公开号：WO2003018021A1

  公开（公告）日：2003-03-06

  The invention encompasses compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions, uses and methods for prophylaxis and treatment of cancer.

  该发明涵盖了化合物、类似物、前药及其药物学上可接受的盐、药物组合物、用途以及预防和治疗癌症的方法。
• 4-substituted 1,2,4-triazole derivatives
  申请人：Merck, Sharp & Dohme Ltd.

  公开号：US05554629A1

  公开（公告）日：1996-09-10

  A discrete class of 4-substituted 1,2,4-triazole derivatives are selective agonists of 5-HT.sub.1 -like receptors and are therefore useful in the treatment of clinical conditions, in particular migraine and associated disorders, for which a selective agonist of these receptors is indicated.

  一类离散的4-取代1,2,4-三唑衍生物是5-HT.sub.1-类受体的选择性激动剂，因此在治疗临床疾病特别是偏头痛和相关疾病时具有用处，对于这些疾病，需要选择性激动这些受体的药物。