1-(phenylcarbamoyl)cyclopropanecarbonyl chloride | 1345847-75-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(phenylcarbamoyl)cyclopropanecarbonyl chloride
• 英文别名: 1-(Phenylcarbamoyl)cyclopropane-1-carbonyl chloride；1-(phenylcarbamoyl)cyclopropane-1-carbonyl chloride
• CAS: 1345847-75-7
• 化学式: C₁₁H₁₀ClNO₂
• 分子量: 223.659
• InChiKey: JOCCFZHFPCIWQU-UHFFFAOYSA-N

物化性质

• 沸点：
  407.7±28.0 °C(Predicted)
• 密度：
  1.430±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-二甲氧基-4-(4-氨基苯氧基)喹啉 、 1-(phenylcarbamoyl)cyclopropanecarbonyl chloride 以 异丁酰胺 为溶剂， 反应 18.0h， 生成 卡博替尼杂质02
  参考文献：
  名称：

  [EN] FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF
  [FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS ET LEUR UTILISATION

  摘要：

  本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其用途。本发明涉及本说明书中所定义的符号表示的化合物，或其盐。

  公开号：

  WO2009136663A1
• 作为产物：
  描述：

  1-(苯基氨基甲酰基)环丙烷-1-羧酸 在 氯化亚砜 作用下， 反应 1.0h， 生成 1-(phenylcarbamoyl)cyclopropanecarbonyl chloride
  参考文献：
  名称：

  [EN] CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES
  [FR] CYCLOPROPYL DICARBOXAMIDES ET ANALOGUES PRÉSENTANT DES ACTIVITÉS ANTICANCÉREUSES ET ANTIPROLIFÉRATIVES

  摘要：

  披露的化合物在哺乳动物癌症，尤其是人类癌症的治疗中很有用。披露了Formula I的化合物、药物组合物和方法：Formula I或其药用可接受的盐、水合物、溶剂合物、对映体、立体异构体或互变异构体。

  公开号：

  WO2011137342A1

文献信息

• CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES
  申请人：Flynn Daniel L.

  公开号：US20120252849A1

  公开（公告）日：2012-10-04

  The disclosed compounds are useful in the treatment of mammalian cancers and especially human cancers. Compounds, pharmaceutical compositions, and methods of Formula I are disclosed: or a pharmaceutically acceptable salt, hydrate, solvate, enantiomer, stereoisomer, or tautomer thereof.

  公开的化合物可用于治疗哺乳动物癌症，尤其是人类癌症。公开了公式I的化合物、制药组合物和方法，或其药用可接受的盐、水合物、溶剂物、对映体、立体异构体或互变异构体。
• METHODS OF PREPARING QUINOLINE DERIVATIVES
  申请人：Wilson Jo Ann

  公开号：US20130197230A1

  公开（公告）日：2013-08-01

  Methods of preparing compounds of formula i(1): or a pharmaceutically acceptable salt thereof, wherein: R 1 and R 2 join together with the nitrogen atom to which they are attached form a 6 membered heterocycloalkyl group; X 1 is H, Br, Cl or F; X 2 is H, Br, Cl or F; s is 2-6; n1 is 1-2; and n2 is 1-2.

  制备式i（1）化合物的方法，或其药学上可接受的盐，其中： R1和R2与它们附着的氮原子结合形成一个6元杂环烷基； X1为H、Br、Cl或F； X2为H、Br、Cl或F； s为2-6； n1为1-2； n2为1-2。
• Processes for Preparing Quinoline Compounds and Pharmaceutical Compositions Containing Such Compounds
  申请人：Wilson Jo Ann

  公开号：US20140200242A1

  公开（公告）日：2014-07-17

  The present invention is directed to processes for making and compositions containing quinolines such as formula I or pharmaceutically acceptable salts thereof wherein: X1 is H, Br, CI, or X2 is H, Br, CI, or n1 is 1-2; and n2 is 1-2.

  本发明涉及制备喹啉化合物的方法和含有喹啉化合物的组合物，其中所述喹啉化合物为式I或其药学上可接受的盐，其中：X1为H、Br、CI，或者X2为H、Br、CI，n1为1-2，n2为1-2。
• Processes for preparing quinoline compounds and pharmaceutical compositions containing such compounds
  申请人：Exelixis, Inc.

  公开号：US10543206B2

  公开（公告）日：2020-01-28

  The present invention is directed to processes for making and compositions containing quinolines such as formula I or pharmaceutically acceptable salts thereof wherein: X1 is H, Br, Cl, or X2 is H, Br, Cl, or n1 is 1-2; and n2 is 1-2.

  本发明涉及喹啉类化合物如式 I 或其药学上可接受的盐的制造工艺和组合物，其中：X1为H、Br、Cl，或X2为H、Br、Cl，或n1为1-2；n2为1-2。
• Design, synthesis and structure–activity relationship studies of novel phenoxyacetamide-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes
  作者：Zheng Li、Xuekun Wang、Xue Xu、Jianyong Yang、Qianqian Qiu、Hao Qiang、Wenlong Huang、Hai Qian

  DOI：10.1016/j.bmc.2015.09.010

  日期：2015.10

  The free fatty acid receptor 1 (FFA1) has attracted extensive attention as a novel antidiabetic target in the last decade. Several FFA1 agonists reported in the literature have been suffered from relatively high molecular weight and lipophilicity. We have previously reported the FFA1 agonist 1. Based on the common amide structural characteristic of SAR1 and NIH screened compound, we here describe the continued structure-activity exploration to decrease the molecular weight and lipophilicity of the compound 1 series by converting various amide linkers. All of these efforts lead to the discovery of the preferable lead compound 18, a compound with considerable agonistic activity, high LE and LLE values, lower lipophilicity than previously reported agonists, and appreciable efficacy on glucose tolerance in both normal and type 2 diabetic mice. (c) 2015 Published by Elsevier Ltd.