3-氯甲基-1-甲基-1H-喹啉-2-酮 | 879566-77-5

• 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: 3-氯甲基-1-甲基-1H-喹啉-2-酮
• 中文别名: 3-(氯甲基)-1-甲基-2(1h)-喹啉酮
• 英文名称: 3-(chloromethyl)-1-methylquinolin-2(1H)-one
• 英文别名: 3-(chloromethyl)-1-methyl-quinolin-2-one；3-(chloromethyl)-1-methylquinolin-2-one
• CAS: 879566-77-5
• 化学式: C₁₁H₁₀ClNO
• mdl: MFCD06738242
• 分子量: 207.659
• InChiKey: RRBZYQKQFDGOIY-UHFFFAOYSA-N

物化性质

• 密度：
  1.239

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  3-氯甲基-1-甲基-1H-喹啉-2-酮 在 potassium phosphate 、 [1,1'-二(二叔丁基膦)二茂铁]合二氯钯(II) 、 palladium diacetate 、 potassium hydroxide 作用下， 以 甲醇 、 乙醚 、 水 、 乙腈 为溶剂， 反应 16.5h， 生成 1-methyl-3-((2-phenylcyclopropyl)methyl)quinolin-2(1H)-one
  参考文献：
  名称：

  [EN] IL4I1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS D'IL4I1 ET MÉTHODES D'UTILISATION

  摘要：

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof wherein A, E, U, X, Y, Z, R1, R2and n are as defined herein. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1 -related diseases. Also provided herein are pharmaceutical compositions comprising the compounds of the invention, or their pharmaceutically acceptable salts, and a pharmaceutically acceptable carrier and methods of treatment with the compounds of the invention.

  公开号：

  WO2023278222A1
• 作为产物：
  描述：

  N-乙酰苯胺 在 甲醇 、 sodium tetrahydroborate 、 氯化亚砜 、 potassium carbonate 、 溶剂黄146 、 三氯氧磷 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 47.42h， 生成 3-氯甲基-1-甲基-1H-喹啉-2-酮
  参考文献：
  名称：

  [EN] IL4I1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS D'IL4I1 ET MÉTHODES D'UTILISATION

  摘要：

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof wherein A, E, U, X, Y, Z, R1, R2and n are as defined herein. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1 -related diseases. Also provided herein are pharmaceutical compositions comprising the compounds of the invention, or their pharmaceutically acceptable salts, and a pharmaceutically acceptable carrier and methods of treatment with the compounds of the invention.

  公开号：

  WO2023278222A1

文献信息

• PYRAZOLOPYRIMIDINE DERIVATIVE
  申请人：Ohsuki Satoru

  公开号：US20100113410A1

  公开（公告）日：2010-05-06

  Problem to be Solved To provide a novel compound inhibiting the effect of HSP90, in particular a novel compound inhibiting the function of HSP90 as a chaperone protein and having antitumor activity. Solution The present invention provides a pyrazolopyrimidine compound represented by the formula (1) having various substituents which inhibits the ATPase activity of HSP90 and which has antitumor activity, an HSP90 inhibitor comprising the compound represented by the formula (1), a medicament comprising the compound represented by the formula (1), an anticancer agent comprising the compound represented by the formula (1), a pharmaceutical composition comprising the compound represented by the formula (1) and a method for treating cancer using the compound represented by the formula (1).

  需要解决的问题：提供一种新型化合物，能够抑制HSP90的作用，特别是抑制其作为分子伴侣蛋白的功能，并具有抗肿瘤活性。 解决方案：本发明提供了一种吡唑嘧啶化合物，其化学式为（1），具有各种取代基，可抑制HSP90的ATP酶活性，并具有抗肿瘤活性。本发明还提供了一种以化合物（1）为代表的HSP90抑制剂，一种包含化合物（1）的药物，一种包含化合物（1）的抗癌剂，一种包含化合物（1）的制药组合物以及一种使用化合物（1）治疗癌症的方法。
• US8158638B2
  申请人：——

  公开号：US8158638B2

  公开（公告）日：2012-04-17
• [EN] COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA DOULEUR, EN PARTICULIER DE LA DOULEUR NEUROPATHIQUE, ET/OU D'AUTRES MALADIES OU TROUBLES ASSOCIÉS À AT2R ET/OU À LA SIGNALISATION MÉDIÉE PAR AT2R
  申请人：[en]CONFO THERAPEUTICS N.V.

  公开号：WO2023006893A1

  公开（公告）日：2023-02-02

  The present invention relates to compounds that can be used for the prevention, treatment and/or management of pain, in particular chronic pain, such as neuropathic pain, and/or other diseases or disorders that are associated with AT2R and/or AT2R-mediated signaling.
• [EN] IL4I1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS D'IL4I1 ET MÉTHODES D'UTILISATION
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2023278222A1

  公开（公告）日：2023-01-05

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof wherein A, E, U, X, Y, Z, R1, R2and n are as defined herein. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1 -related diseases. Also provided herein are pharmaceutical compositions comprising the compounds of the invention, or their pharmaceutically acceptable salts, and a pharmaceutically acceptable carrier and methods of treatment with the compounds of the invention.