2-(methylamino)imidazole hydrochloride | 1803581-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(methylamino)imidazole hydrochloride
• 英文别名: N-Methyl-1H-imidazol-2-amine hydrochloride；N-methyl-1H-imidazol-2-amine;hydrochloride
• CAS: 1803581-76-1
• 化学式: C₄H₇N₃*ClH
• mdl: MFCD28118257
• 分子量: 133.581
• InChiKey: LTNQBWDBTRVJSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-1,3-thiazol-2-4lbenzamide 、 2-(methylamino)imidazole hydrochloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-7,8-dihydropyrido[2,3-d]-pyrimidin-4-yl}-4-methyl-N-(1,3-thiazol-2-yl)benzamide
  参考文献：
  名称：

  WO2007/147103

  摘要：

  公开号：

文献信息

• [EN] TRICYCLIC HETEROCYLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES TRICYCLIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2017202748A1

  公开（公告）日：2017-11-30

  Compounds of the formula (I) in which R1 and R2 have the meanings indicated in Claim 1,are inhibitors of ATR, and can be employed for the treatment of diseases such as cancer.

  式(I)中R1和R2具有权利要求书中指示的含义，是ATR的抑制剂，可用于治疗癌症等疾病。
• Thiophene-Anthranilamides as Highly Potent and Orally Available Factor Xa Inhibitors
  作者：Bin Ye、Damian O. Arnaiz、Yuo-Ling Chou、Brian D. Griedel、Rushad Karanjawala、Wheeseong Lee、Michael M. Morrissey、Karna L. Sacchi、Steven T. Sakata、Kenneth J. Shaw、Shung C. Wu、Zuchun Zhao、Marc Adler、Sarah Cheeseman、William P. Dole、Janice Ewing、Richard Fitch、Dao Lentz、Amy Liang、David Light、John Morser、Joseph Post、Galina Rumennik、Babu Subramanyam、Mark E. Sullivan、Ron Vergona、Janette Walters、Yi-Xin Wang、Kathy A. White、Marc Whitlow、Monica J. Kochanny

  DOI：10.1021/jm070125f

  日期：2007.6.1

  There remains a high unmet medical need for a safe oral therapy for thrombotic disorders. The serine protease factor Xa (fXa), with its central role in the coagulation cascade, is among the more promising targets for anticoagulant therapy and has been the subject of intensive drug discovery efforts. Investigation of a hit from high-throughput screening identified a series of thiophene-substituted anthranilamides as potent nonamidine fXa inhibitors. Lead optimization by incorporation of hydrophilic groups led to the discovery of compounds with picomolar inhibitory potency and micromolar in vitro anticoagulant activity. Based on their high potency, selectivity, oral pharmacokinetics, and efficacy in a rat venous stasis model of thrombosis, compounds ZK 814048 (10b), ZK 810388 (13a), and ZK 813039 (17m) were advanced into development.