2-chloroquinoline-4-acetic acid methyl ester | 158265-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-chloroquinoline-4-acetic acid methyl ester
• 英文别名: methyl 2-(2-chloroquinolin-4-yl)acetate；2-(2-chloroquinolin-4-yl)acetic acid methyl ester
• CAS: 158265-19-1
• 化学式: C₁₂H₁₀ClNO₂
• 分子量: 235.67
• InChiKey: DEKMOGNNUXUIIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloroquinoline-4-acetic acid methyl ester 在 ammonium hydroxide 作用下， 以 N-甲基吡咯烷酮 、 水 为溶剂， 反应 76.0h， 生成 2-[2-(4-methylpiperazin-1-yl)quinolin-4-yl]acetamide
  参考文献：
  名称：

  Structure–Activity Relationship and Pharmacokinetic Studies of Sotrastaurin (AEB071), a Promising Novel Medicine for Prevention of Graft Rejection and Treatment of Psoriasis

  摘要：

  Protein kinase C (PKC) isotypes have emerged as key targets for the blockade of early T-cell activation. Herein, we report on the structure - activity relationship and the detailed physicochemical and in vivo pharmacokinetic properties of sotrastaurin (AEB071, 1), a novel maleimide-based PKC inhibitor currently in phase II clinical trials. Most notably, the preferred uptake of sotrastaurin into lymphoid tissues is an important feature, which is likely to contribute to its in vivo efficacy.

  DOI：

  10.1021/jm200469u
• 作为产物：
  描述：

  (2-氧代-1,2-二氢喹啉-4-基)乙酸甲酯 在 三氯氧磷 作用下， 反应 2.0h， 以83%的产率得到2-chloroquinoline-4-acetic acid methyl ester
  参考文献：
  名称：

  Jain, Rahul; Jain, Sanjay; Singh, Jujhar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1994, vol. 33, # 8, p. 747 - 751

  摘要：

  DOI：

文献信息

• Indolylmaleimide derivatives
  申请人：——

  公开号：US20030069424A1

  公开（公告）日：2003-04-10

  Indolylmaleimide derivatives comprising either a substituted phenyl, naphthyl, tetrahydronaphthyl, quinazolinyl, quinolyl, isoquinolyl or pyrimidinyl residue have interesting pharmaceutical properties, e.g. in the treatment and/or prevention of T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer.

  含有取代苯基、萘基、四氢萘基、喹唑啉基、喹啉基、异喹啉基或嘧啶基残基的吲哚基马来酰亚胺衍生物具有有趣的药理特性，例如在治疗和/或预防T细胞介导的急性或慢性炎症性疾病或紊乱、自身免疫疾病、移植排斥或癌症方面。
• [EN] INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS<br/>[FR] DERIVES D'INDOLYLMALEIMIDE UTILISES EN TANT QU'INHIBITEURS DE PROTEINE KINASE C
  申请人：NOVARTIS AG

  公开号：WO2002038561A1

  公开（公告）日：2002-05-16

  Indolylmaleimide derivatives comprising either a substituted phenyl, naphthyl, tetrahydronaphthyl, quinazolinyl, quinolyl, isoquinolyl or pyrimidinyl residue have interesting pharmaceutical properties, e.g. in the treatment and/or prevention of T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer.

  含有取代苯基、萘基、四氢萘基、喹唑啉基、喹啉基、异喹啉基或嘧啶基残基的吲哚基马来酰亚胺衍生物具有有趣的药理学特性，例如在治疗和/或预防T细胞介导的急性或慢性炎症性疾病或疾患、自身免疫疾病、移植排斥或癌症方面。
• Indolylmaleimide Derivatives
  申请人：Albert Rainer

  公开号：US20090318463A1

  公开（公告）日：2009-12-24

  Indolylmaleimide derivatives comprising either a substituted phenyl, naphthyl, tetrahydronaphthyl, quinazolinyl, quinolyl, isoquinolyl or pyrimidinyl residue have interesting pharmaceutical properties, e.g. in the treatment and/or prevention of T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer.

  含有取代苯基、萘基、四氢萘基、喹唑啉基、喹啉基、异喹啉基或嘧啶基残基的吲哚基马来酰亚胺衍生物具有有趣的药理学性质，例如在治疗和/或预防T细胞介导的急性或慢性炎症性疾病或障碍、自身免疫性疾病、移植排斥或癌症方面。
• Indolylmaleimide derivatives as protein kinase c inhibitors
  申请人：Novartis AG

  公开号：EP2070921A1

  公开（公告）日：2009-06-17

  Indolylmaleimide derivatives comprising either a substituted phenyl, naphthyl, tetrahydronaphthyl, quinazolinyl, quinolyl, isoquinolyl or pyrimidinyl residue have interesting pharmaceutical properties, e.g. in the treatment and/or prevention of T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer.

  由取代的苯基、萘基、四氢萘基、喹唑啉基、喹啉基、异喹啉基或嘧啶基残基组成的吲哚马来酰亚胺衍生物具有有趣的药物特性，例如在治疗和/或预防 T 细胞介导的急性或慢性炎症性疾病或紊乱、自身免疫性疾病、移植物排斥反应或癌症方面。
• Jain, Rahul; Jain, Sanjay; Singh, Jujhar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1994, vol. 33, # 8, p. 747 - 751
  作者：Jain, Rahul、Jain, Sanjay、Singh, Jujhar、Anand, Nitya

  DOI：——

  日期：——