7-氯-6-碘-1H-喹啉-4-酮 | 1021913-03-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 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
• 中文名称: 7-氯-6-碘-1H-喹啉-4-酮
• 英文名称: 7-chloro-6-iodoquinolin-4-ol
• 英文别名: 7-chloro-6-iodo-4-quinolinol；7-chloro-6-iodo-1H-quinolin-4-one
• CAS: 1021913-03-0
• 化学式: C₉H₅ClINO
• 分子量: 305.502
• InChiKey: WOCKEJPQIBCNFE-UHFFFAOYSA-N

物化性质

• 沸点：
  427.4±40.0 °C(Predicted)
• 密度：
  2.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 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：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-氯-6-碘-1H-喹啉-4-酮 在 N-溴代丁二酰亚胺(NBS) 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 caesium carbonate 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.13h， 生成 tert-butyl (2R)-2-(2-{[3-bromo-7-chloro-6-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]oxy}ethyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Novel 3,6-Diaryl-4-aminoalkoxyquinolines as Selective Agonists of Somatostatin Receptor Subtype 2

  摘要：

  Agonists of somatostatin receptor subtype 2 (sst(2)) have been proposed as therapeutics for the treatment of proliferative diabetic retinopathy and exudative age-related macular degeneration. An HTS screen identified 2-quinolones as weak agonists of sst(2), and these were optimized to provide small molecules with sst(2) binding and functional potency comparable to peptide agonists. Agonist 21 was shown to inhibit rat growth hormone secretion following systemic administration and to inhibit ocular neovascular lesion formation after local administration.

  DOI：

  10.1021/jm101501b
• 作为产物：
  描述：

  3-氯-4-碘苯胺 以 乙醇 为溶剂， 反应 0.67h， 生成 7-氯-6-碘-1H-喹啉-4-酮
  参考文献：
  名称：

  CHEMICAL COMPOUNDS

  摘要：

  该规范涉及到式（I）的化合物及其药用盐。该规范还涉及用于它们制备的过程和中间体，含有它们的药物组合物以及它们在治疗细胞增殖性疾病中的用途。

  公开号：

  US20190177338A1

文献信息

• [EN] INHIBITORS OF KRAS G12C<br/>[FR] INHIBITEURS DE K-RAS G12C
  申请人：ARAXES PHARMA LLC

  公开号：WO2015054572A1

  公开（公告）日：2015-04-16

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, prodrug or stereoisomer thereof, wherein R1, R2a, R3a, R3b, R4a, R4b, G1, G2, L1, L2, m1, m2, A, B, W, X, Y, Z and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了作为G12C突变KRAS蛋白抑制剂活性的化合物。这些化合物具有以下结构（I）：或其药用可接受的盐、互变异构体、前药或立体异构体，其中R1、R2a、R3a、R3b、R4a、R4b、G1、G2、L1、L2、m1、m2、A、B、W、X、Y、Z和E如本文所定义。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及调节G12C突变KRAS蛋白活性以治疗癌症等疾病的方法。
• CHEMICAL COMPOUNDS
  申请人：ASTRAZENECA AB

  公开号：US20190177338A1

  公开（公告）日：2019-06-13

  The specification relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof. The specification also relates to processes and intermediates used for their preparation, pharmaceutical compositions containing them and their use in the treatment of cell proliferative disorders.

  该规范涉及到式（I）的化合物及其药用盐。该规范还涉及用于它们制备的过程和中间体，含有它们的药物组合物以及它们在治疗细胞增殖性疾病中的用途。
• [EN] COMBINATION THERAPIES FOR TREATMENT OF CANCER<br/>[FR] THÉRAPIES COMBINATOIRES POUR LE TRAITEMENT DU CANCER
  申请人：ARAXES PHARMA LLC

  公开号：WO2016044772A1

  公开（公告）日：2016-03-24

  Combination therapies for treatment of cancers associated with mutations in the KRAS gene are provided. Compositions comprising therapeutic agents for treatment of cancers associated with mutations in the KRAS gene are also provided.

  提供用于治疗与KRAS基因突变相关的癌症的联合疗法。还提供了包含治疗剂的组合物，用于治疗与KRAS基因突变相关的癌症。
• Somatostatin Agonists
  申请人：Eastman Brian

  公开号：US20090258853A1

  公开（公告）日：2009-10-15

  This invention relates to compounds which are agonists of somatostatin and selective toward somatostatin receptor subtype SSTR2. The compounds are useful in the treatment and prevention of diabetes, and diabetes-related pathologies, including retinopathy, neuropathy and nephropathy. Many of the compounds are orally active. Thus, it is an object of this invention to describe such compounds. It is a further object to describe the specific preferred stereoisomers of the somatostatin agonists. A still further object is to describe processes for the preparation of such compounds. Another object is to describe methods and compositions which use the compounds as the active ingredient thereof.

  本发明涉及一种能够激活生长抑素并且选择性地作用于生长抑素受体亚型SSTR2的化合物。这些化合物可用于治疗和预防糖尿病及其相关病理，包括视网膜病变、神经病变和肾病。其中许多化合物具有口服活性。因此，本发明的目的在于描述这些化合物，进一步地，描述生长抑素激动剂的特定优选立体异构体。另一个目的是描述制备这些化合物的方法和工艺。还有一个目的是描述使用这些化合物作为活性成分的方法和组合物。
• INHIBITORS OF KRAS G12C
  申请人：Araxes Pharma LLC

  公开号：US20150239900A1

  公开（公告）日：2015-08-27

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, prodrug or stereoisomer thereof, wherein R 1 , R 2a , R 3a , R 3b , R 4a , R 4b , G 1 , G 2 , L 1 , L 2 , m 1 , m 2 , A, B, W, X, Y, Z and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了具有抑制G12C突变KRAS蛋白活性的化合物。这些化合物具有以下结构（I）：或其药学上可接受的盐、互变异构体、前药或立体异构体，其中R1、R2a、R3a、R3b、R4a、R4b、G1、G2、L1、L2、m1、m2、A、B、W、X、Y、Z和E的定义如本文所述。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的制药组合物以及用于治疗癌症等疾病的调节G12C突变KRAS蛋白活性的方法。