(9ci)-4-氯-1H-苯并咪唑 | 16931-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: (9ci)-4-氯-1H-苯并咪唑
• 中文别名: 4-氯苯并咪唑；7-氯-1H-苯并咪唑；7-氯-1H-苯并[D]咪唑
• 英文名称: 4-chloro-1H-1,3-benzodiazole
• 英文别名: 4-chloro-1H-benzimidazole；4-chloro-1(3)H-benzimidazole；4-Chlor-1(3)H-benzimidazol；4-chlorobenzimidazole；4(7)-Chlor-benzimidazol；4-Chlor-benzimidazol；7-chloro-1H-benzo[d]imidazole
• CAS: 16931-35-4
• 化学式: C₇H₅ClN₂
• mdl: MFCD11694327
• 分子量: 152.583
• InChiKey: RPYPMOKNVPZWKZ-UHFFFAOYSA-N

物化性质

• 熔点：
  170-171℃
• 密度：
  1.425

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  (9ci)-4-氯-1H-苯并咪唑 在 potassium phosphate 、 copper(l) iodide 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 、 (1R,2R)-(-)-N,N'-二甲基-1,2-环己二胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Using ‘biased-privileged’ scaffolds to identify lysine methyltransferase inhibitors

  摘要：

  Methylation of histones by lysine methyltransferases (KMTases) plays important roles in regulating chromatin function. It is also now clear that improper KMTases activity is linked to human diseases, such as cancer. We report an approach that employs drug-like 'privileged' scaffolds biased with motifs present in S-adenosyl methionine, the cofactor used by KMTases, to efficiently generate inhibitors for Set7, a biochemically well-characterized KMTase. Setin-1, the most potent inhibitor of Set7 we have developed also inhibits the KMTase G9a. Together these data suggest that these inhibitors should provide good starting points to generate useful probes for KMTase biology and guide the design of KMTase inhibitors with drug-like properties. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.024
• 作为产物：
  描述：

  2,3-dinitrochlorobenzene 在 盐酸 、 tin(ll) chloride 作用下， 生成 (9ci)-4-氯-1H-苯并咪唑
  参考文献：
  名称：

  Montanari; Passerini, Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1953, vol. 11, p. 42

  摘要：

  DOI：

文献信息

• Transition-metal and oxidant-free approach for the synthesis of diverse N-heterocycles by TMSCl activation of isocyanides
  作者：Liangliang Luo、Hongyan Li、Jinxin Liu、Yuan Zhou、Lin Dong、You-Cai Xiao、Fen-Er Chen

  DOI：10.1039/d0ra04636a

  日期：——

  A highly efficient TMSCl-mediated addition of N-nucleophiles to isocyanides has been achieved.

  一种高效的TMSCl介导的N-亲核试剂加成到异氰酸酯的方法已经实现。
• [EN] MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE<br/>[FR] MODULATEURS D'INDOLÉAMINE 2,3-DIOXYGÉNASE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019111107A1

  公开（公告）日：2019-06-13

  Provided are IDO1 inhibitor compounds of Formula (I) and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and methods for their use in the prevention and/or treatment of diseases.

  提供了化学式（I）的IDO1抑制剂化合物及其药用盐，它们的药物组合物，它们的制备方法，以及它们在预防和/或治疗疾病中的使用方法。
• [EN] BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS<br/>[FR] DÉRIVÉS HÉTÉROARYLE BICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE L'ECTONUCLÉOTIDE PYROPHOSPHATASE/PHOSPHODIESTÉRASE 1
  申请人：RIBOSCIENCE LLC

  公开号：WO2020210649A1

  公开（公告）日：2020-10-15

  The present disclosure provides certain bicyclic heteroaryl compounds that inhibit ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) enzymatic activity and are therefore useful for the treatment of diseases and conditions modulated at least in part by ENPP1. In some embodiments, the bicyclic heteroaryl compounds includes those of Formula (I). Also provided herein are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本公开提供了一些抑制细胞外核苷酸焦磷酸酶/磷酸二酯酶1（ENPP1）酶活性的双环杂环芳基化合物，因此对于治疗至少部分受ENPP1调节的疾病和病况是有用的。在某些实施例中，双环杂环芳基化合物包括式（I）中的化合物。本文还提供了含有这类化合物的药物组合物以及制备这类化合物的方法。
• Mild and General One-Pot Reduction and Cyclization of Aromatic and Heteroaromatic 2-Nitroamines to Bicyclic 2H-Imidazoles
  作者：Emily Hanan、Bryan Chan、Anthony Estrada、Daniel Shore、Joseph Lyssikatos

  DOI：10.1055/s-0030-1259007

  日期：2010.11

  A one-pot procedure for the conversion of aromatic and heteroaromatic 2-nitroamines into bicyclic 2H-benzimidazoles is described. The procedure employs formic acid, iron powder, and an additive such as NH4Cl to reduce the nitro group and effect the imidazole cyclization with high-yielding conversions generally within one to two hours. The compatibility with a wide range of functionality demonstrates the general utility of this procedure.

  描述了一种将芳香和杂芳香2-硝基胺转化为双环2H-苯并咪唑的一锅法步骤。该步骤采用甲酸、铁粉以及NH4Cl等添加剂来还原硝基并实现咪唑环化，通常在一到两小时内完成高产率的转化。其广泛的官能团兼容性显示了该步骤的普遍实用性。
• [EN] PHARMACOLOGICALLY ACTIVE IMIDAZO[4,5-C]PYRIDINES<br/>[FR] IMIDAZO[4,5-C]PYRIDINES A ACTIVITE PHARMACOLOGIQUE
  申请人：ALTANA PHARMA AG

  公开号：WO2005026164A1

  公开（公告）日：2005-03-24

  The invention relates to 6-substituted imidazo[4,5-c]pyridines of formula 1, in which X is O (oxygen) or NH and Y has either the meaning -CH2-AR or Y denotes the group gp (gp) wherein Z has the meaning -CHR8- or -CHR8-CHR9-. The compounds have gastric secretion inhibiting and excellent gastric and intestinal protective action properties.

  这项发明涉及式1中的6-取代咪唑并[4,5-c]吡啶，其中X为O（氧）或NH，Y具有含义-CH2-AR或Y表示该组gp（gp），其中Z具有含义-CHR8-或-CHR8-CHR9-。这些化合物具有抑制胃酸分泌和优异的胃肠保护作用特性。