methyl 2-chloro-1-methyl-1H-benzimidazole-5-carboxylate | 1780871-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: methyl 2-chloro-1-methyl-1H-benzimidazole-5-carboxylate
• 英文别名: Methyl 2-chloro-1-methyl-benzimidazole-5-carboxylate；methyl 2-chloro-1-methylbenzimidazole-5-carboxylate
• CAS: 1780871-34-2
• 化学式: C₁₀H₉ClN₂O₂
• 分子量: 224.647
• InChiKey: GRBCZHNRZDDLOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-chloro-1-methyl-1H-benzimidazole-5-carboxylate 在 1,3-二甲基-2-咪唑啉酮 、 羟胺钾盐 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 N-hydroxy-1-methyl-2-(phenylamino)-1H-benzo[d]imidazole-5-carboxamide
  参考文献：
  名称：

  [EN] BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY
  [FR] ACIDES HYDROXAMIQUES BICYCLIQUES UTILES COMME INHIBITEURS DE L'ACTIVITÉ HISTONE DÉSACÉTYLASE CHEZ LE MAMMIFÈRE

  摘要：

  化合物的化学式（Ia）或（Ib）或其药学上可接受的盐。该化合物是组蛋白去乙酰化酶的抑制剂，因此在治疗自身免疫性疾病、精神障碍、神经退行性疾病和过度增生性疾病等方面非常有用。

  公开号：

  WO2017108282A1
• 作为产物：
  描述：

  methyl 1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以69%的产率得到methyl 2-chloro-1-methyl-1H-benzimidazole-5-carboxylate
  参考文献：
  名称：

  [EN] BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY
  [FR] ACIDES HYDROXAMIQUES BICYCLIQUES UTILES COMME INHIBITEURS DE L'ACTIVITÉ HISTONE DÉSACÉTYLASE CHEZ LE MAMMIFÈRE

  摘要：

  化合物的化学式（Ia）或（Ib）或其药学上可接受的盐。该化合物是组蛋白去乙酰化酶的抑制剂，因此在治疗自身免疫性疾病、精神障碍、神经退行性疾病和过度增生性疾病等方面非常有用。

  公开号：

  WO2017108282A1

文献信息

• Bicyclic hydroxamic acids useful as inhibitors of mammalian histone deacetylase activity
  申请人：KANCERA AB

  公开号：US10654814B2

  公开（公告）日：2020-05-19

  A compound of formula (Ia) or (Ib) or a pharmaceutically acceptable salt thereof. The compound is an inhibitor of a histone deacetylase, and as such is useful in therapy, e.g. in the treatment of autoimmune disorders, mental disorders, neurodegenerative disorders, and hyperproliferative disorders.

  式 (Ia) 或 (Ib) 的化合物 或其药学上可接受的盐。该化合物是组蛋白去乙酰化酶的抑制剂，因此可用于治疗，如治疗自身免疫性疾病、精神疾病、神经退行性疾病和过度增殖性疾病。
• Nitrogen-containing heterocyclic compounds as FXR modulators
  申请人：Hepagene Therapeutics (HK) Limited

  公开号：US10919903B2

  公开（公告）日：2021-02-16

  The present technology is directed to compounds, compositions, and methods related to modulation of FXR. In particular, the present compounds and compositions may be used to treat FXR-mediated disorders and conditions, including, e.g., liver disease, hyperlipidemia, hypercholesteremia, obesity, metabolic syndrome, cardiovascular disease, gastrointestinal disease, and atherosclerosis, and renal disease.

  本技术涉及与调节 FXR 有关的化合物、组合物和方法。特别是，本化合物和组合物可用于治疗 FXR 介导的疾病和病症，包括肝脏疾病、高脂血症、高胆固醇血症、肥胖症、代谢综合征、心血管疾病、胃肠道疾病、动脉粥样硬化和肾脏疾病等。
• BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY
  申请人：Kancera AB

  公开号：EP3394052B1

  公开（公告）日：2021-07-28
• Nitrogen-Containing Heterocyclic Compounds As FXR Modulators
  申请人：Hepagene Therapeutics, Inc.

  公开号：US20190276465A1

  公开（公告）日：2019-09-12

  The present technology is directed to compounds, compositions, and methods related to modulation of FXR. In particular, the present compounds and compositions may be used to treat FXR-mediated disorders and conditions, including, e.g., liver disease, hyperlipidemia, hypercholesteremia, obesity, metabolic syndrome, cardiovascular disease, gastrointestinal disease, and atherosclerosis, and renal disease.
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS
  申请人：Hepagene Therapeutics (HK) Limited

  公开号：US20210079006A1

  公开（公告）日：2021-03-18

  The present technology is directed to compounds, compositions, and methods related to modulation of FXR. In particular, the present compounds and compositions may be used to treat FXR-mediated disorders and conditions, including, e.g., liver disease, hyperlipidemia, hypercholesteremia, obesity, metabolic syndrome, cardiovascular disease, gastrointestinal disease, and atherosclerosis, and renal disease.