phenyl (6-methylpyridin-3-yl)carbamate | 1020335-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenyl (6-methylpyridin-3-yl)carbamate
• 英文别名: Phenyl 6-methylpyridin-3-ylcarbamate；phenyl N-(6-methylpyridin-3-yl)carbamate
• CAS: 1020335-60-7
• 化学式: C₁₃H₁₂N₂O₂
• mdl: MFCD24450224
• 分子量: 228.25
• InChiKey: WMINNUCCVABYCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  342.1±34.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  phenyl (6-methylpyridin-3-yl)carbamate 、 1-[(3-Methylbenzo[b]thien-2-yl)methyl]piperazine 以 二甲基亚砜 为溶剂， 生成 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide
  参考文献：
  名称：

  Benzothiophene piperazine and piperidine urea inhibitors of fatty acid amide hydrolase (FAAH)

  摘要：

  The synthesis and structure-activity relationships (SAR) of a series of benzothiophene piperazine and piperidine urea FAAH inhibitors is described. These compounds inhibit FAAH by covalently modifying the enzyme's active site serine nucleophile. Activity-based protein pro. ling (ABPP) revealed that these urea inhibitors were completely selective for FAAH relative to other mammalian serine hydrolases. Several compounds showed in vivo activity in a rat complete Freund's adjuvant (CFA) model of inflammatory pain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.080
• 作为产物：
  描述：

  3-氨基-6-甲基吡啶 生成 phenyl (6-methylpyridin-3-yl)carbamate
  参考文献：
  名称：

  Biaryl Ether Urea Compounds

  摘要：

  本发明涉及式(I)的化合物或其药用可接受的盐；制备该化合物的方法；制备该化合物所用的中间体；含有该化合物的组合物；以及利用该化合物治疗与脂肪酸酰胺水解酶(FAAH)活性相关的疾病或症状。

  公开号：

  US20080261941A1

文献信息

• [EN] ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL<br/>[FR] NOUVEAUX PROCÉDÉS DESTINÉS À LA PRÉPARATION DE L'OMÉCAMTIV MÉCARBIL
  申请人：DR REDDY’S LABORATORIES LTD

  公开号：WO2021070124A1

  公开（公告）日：2021-04-15

  Aspects of the present application relate to process for the preparation of Omecamtiv mecarbil and salts thereof. Specific aspects relate to novel urea intermediate, preparative process thereof and its use in the preparation of Omecamtiv mecarbil and salts thereof. The improved process for the preparation of Omecamtiv mecarbil are industrially viable.

  本申请的方面涉及制备Omecamtiv mecarbil及其盐的过程。具体方面涉及新型尿素中间体，其制备过程及其在制备Omecamtiv mecarbil及其盐中的应用。改进的Omecamtiv mecarbil制备过程具有工业可行性。
• [EN] SYNTHESIS OF OMECAMTIV MECARBIL<br/>[FR] SYNTHÈSE D'OMECAMTIV MECARBIL
  申请人：AMGEN INC

  公开号：WO2019006231A1

  公开（公告）日：2019-01-03

  Provided herein is a synthesis for omecamtiv mecarbil dihydrochloride hydrate and various intermediates. (I)

  本文提供了Omecamtiv mecarbil双盐酸盐水合物及其各种中间体的合成方法。(I)
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2014152198A1

  公开（公告）日：2014-09-25

  Provided are certain pharmaceutical formulations of omecamtiv mecarbil and methods for their preparation and use.

  提供了奥美卡酮美卡比尔的某些药物配方及其制备和使用方法。
• HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE
  申请人：Breitenbucher J. Guy

  公开号：US20120083476A1

  公开（公告）日：2012-04-05

  Certain heteroaryl-substituted spirocyclic diamine urea compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, energy metabolism disorders, and movement disorders (e.g., multiple sclerosis).

  本文描述了某些杂环取代的螺环二胺尿素化合物，可用作FAAH抑制剂。这些化合物可用于药物组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态，失调和情况的方法，例如焦虑，疼痛，炎症，睡眠障碍，进食障碍，能量代谢障碍和运动障碍（例如多发性硬化）。
• Biaryl ether urea compounds
  申请人：Pfizer Inc.

  公开号：US08044052B2

  公开（公告）日：2011-10-25

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof; processes for the preparation of the compounds; intermediates used in the preparation of the compounds; compositions containing the compounds; and uses of the compounds in treating diseases or conditions associated with fatty acid amide hydrolase (FAAH) activity.

  本发明涉及式（I）化合物或其药学上可接受的盐；制备该化合物的方法；制备该化合物的中间体；含有该化合物的组合物；以及使用该化合物治疗与脂肪酸酰胺水解酶（FAAH）活性相关的疾病或病况的用途。