1-(2-氯吡啶-3-基)丙烷-1-酮 | 131109-74-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氯吡啶-3-基)丙烷-1-酮
• 英文名称: 1-(2-chloropyridin-3-yl)propan-1-one
• CAS: 131109-74-5
• 化学式: C₈H₈ClNO
• mdl: MFCD11847249
• 分子量: 169.611
• InChiKey: WRFVUKKYMCMEHC-UHFFFAOYSA-N

物化性质

• 沸点：
  75 °C
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-氯吡啶-3-基)丙烷-1-酮 在 N-氨基羟胺 、 sodium hydride 、 间氯过氧苯甲酸 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 52.0h， 生成 3-ethyl-1-(2-(methylsulfonyl)pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
  参考文献：
  名称：

  Synthesis and biological evaluation of imidazo[4,5-b]pyridine and 4-heteroaryl-pyrimidine derivatives as anti-cancer agents

  摘要：

  A series of N-phenyl-imidazo[4,5-b]pyridin-2-amines, 4-indazolyl-N-phenylpyrimidin-2-amines and N-phenyl-4-pyrazolo[3,4-b]pyridin-pyrimidin-2-amines have been synthesized. Their anti-proliferative activities were tested in HCT-116 human colon carcinoma and MCF-7 breast carcinoma cell lines. Many exhibited potent anti-proliferative and CDK9 inhibitory activities. A lead compound 18b demonstrated the ability to reduce the level of Mcl-1 anti-apoptotic protein, to activate caspase 3/7 and induce cancer cell apoptosis. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.034
• 作为产物：
  描述：

  2-氯烟酸 在 吡啶 、 1,2-二氯乙烷 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 1-(2-氯吡啶-3-基)丙烷-1-酮
  参考文献：
  名称：

  Synthesis and biological evaluation of imidazo[4,5-b]pyridine and 4-heteroaryl-pyrimidine derivatives as anti-cancer agents

  摘要：

  A series of N-phenyl-imidazo[4,5-b]pyridin-2-amines, 4-indazolyl-N-phenylpyrimidin-2-amines and N-phenyl-4-pyrazolo[3,4-b]pyridin-pyrimidin-2-amines have been synthesized. Their anti-proliferative activities were tested in HCT-116 human colon carcinoma and MCF-7 breast carcinoma cell lines. Many exhibited potent anti-proliferative and CDK9 inhibitory activities. A lead compound 18b demonstrated the ability to reduce the level of Mcl-1 anti-apoptotic protein, to activate caspase 3/7 and induce cancer cell apoptosis. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.034

文献信息

• PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20180127370A1

  公开（公告）日：2018-05-10

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• CONDENSED HETEROCYCLIC COMPOUND
  申请人：Taniguchi Takahiko

  公开号：US20130331409A1

  公开（公告）日：2013-12-12

  The present invention provides a compound having a superior PDE10A inhibitory action and use thereof. The compound is a compound represented by the following formula (I): wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有优越的PDE10A抑制作用的化合物及其使用。该化合物是由以下式（I）表示的化合物： 其中每个符号如本说明书中所定义，或其盐。
• Difluorocarbene-Triggered Cyclization: Synthesis of (Hetero)arene-Fused 2,2-Difluoro-2,3-dihydrothiophenes
  作者：Huamin Liang、Ran Liu、Min Zhou、Yue Fu、Chuanfa Ni、Jinbo Hu

  DOI：10.1021/acs.orglett.0c02688

  日期：2020.9.4

  An efficient method for the synthesis of (hetero)arene-fused 2,2-difluoro-2,3-dihydrothiophene derivatives using readily available sodium chlorodifluoroacetate (ClCF2CO2Na) has been developed. This transformation is achieved through a combination of a thiolate with difluorocarbene, followed by intramolecular nucleophilic addition to a ketone, cyano, or ester functional group.

  已经开发了使用容易获得的氯二氟乙酸钠（ClCF 2 CO 2 Na）合成（杂）芳烃稠合的2，2-二氟-2，3-二氢噻吩衍生物的有效方法。通过硫醇盐与二氟卡宾的组合，然后向酮，氰基或酯官能团的分子内亲核加成，可以实现这种转化。
• [EN] AMINOMETHYL QUINOLONE COMPOUNDS<br/>[FR] COMPOSÉS D'AMINOMÉTHYL-QUINOLONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013007676A1

  公开（公告）日：2013-01-17

  The invention relates to JNK inhibitors and corresponding methods, formulations, and compositions for inhibiting JNK and treating JNK-mediated disorders. The application discloses JNK inhibitors, as described below in Formula (I): wherein the variables are as defined herein. The compounds and compositions disclosed herein are useful to modulate the activity of JNK and treat diseases associated with JNK activity. Disclosed are methods and formulations for inhibiting JNK and treating JNK-mediated disorders, and the like, with the compounds, and processes for making said compounds, and corresponding compositions, disclosed herein.

  这项发明涉及JNK抑制剂及相应的用于抑制JNK和治疗JNK介导的疾病的方法、配方和组合物。该申请披露了JNK抑制剂，如下所述的化学式(I)：其中变量如本文所定义。本文披露的化合物和组合物可用于调节JNK的活性并治疗与JNK活性相关的疾病。还披露了用于抑制JNK和治疗JNK介导的疾病等的方法和配方，以及用于制备上述化合物和相应组合物的过程。
• [EN] FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE<br/>[FR] ÉNONES D'HÉTÉROARYLE FONCTIONNALISÉES PRÉSENTANT UNE ACTIVATION NRF2 ET LEUR MÉTHODE D'UTILISATION
  申请人：CUREVEDA LLC

  公开号：WO2015187934A1

  公开（公告）日：2015-12-10

  Pharmaceutical compositions are disclosed, which include functionalized hetroaryl enones and are useful for treating or preventing a disease, disorder or condition associated with an NRF2-regulated pathway and/or which involves oxidative stress.

  揭示了包括功能化杂环烯酮在内的药物组合物，适用于治疗或预防与NRF2调节途径相关或涉及氧化应激的疾病、紊乱或状况。