2-(difluoromethyl)cyclopropane-1-carboxylic acid | 1314960-20-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(difluoromethyl)cyclopropane-1-carboxylic acid
• CAS: 1314960-20-7
• 化学式: C₅H₆F₂O₂
• mdl: MFCD19231567
• 分子量: 136.098
• InChiKey: AQPYFAYLGMEWCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(difluoromethyl)cyclopropane-1-carboxylic acid 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2’-chloro-N-(5-(2-(difluoromethyl)cyclopropyl)-1,3,4-thiadiazol-2-yl)-5’-methoxy-6-methyl-(4,4’-bipyridine)-3-carboxamide
  参考文献：
  名称：

  [EN] THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS
  [FR] COMPOSÉS THIADIAZOLYLES UTILISÉS COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA

  摘要：

  Disclosed herein are certain thiadiazolyl derivatives Formula (I): (I) that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  公开号：

  WO2023067515A1
• 作为产物：
  描述：

  4-methoxybenzyl cis-2-(difluoromethyl)cyclopropane-1-carboxylate 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 2-(difluoromethyl)cyclopropane-1-carboxylic acid
  参考文献：
  名称：

  [EN] IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17
  [FR] IMIDAZOPYRIDAZINES EN TANT QUE MODULATEURS DE L'IL-17

  摘要：

  本申请公开了具有以下公式(I)的化合物，或其药用可接受的盐，其中R1、R2、R3、R4和R5在说明书中定义，以及制造和使用所公开化合物的方法，用于治疗或改善IL-17介导的综合征、紊乱和/或疾病。

  公开号：

  WO2021222404A1

文献信息

• 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors
  申请人：Broughton Barff Howard

  公开号：US20070225267A1

  公开（公告）日：2007-09-27

  The present invention provides BACE inhibitors of Formula (I); methods for their use and preparation, and intermediates useful for their preparation.

  本发明提供了化学式（I）的BACE抑制剂；以及它们的使用和制备方法，以及用于它们制备的中间体。
• [EN] COMPOUNDS, COMPOSITIONS AND METHODS<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS
  申请人：DENALI THERAPEUTICS INC

  公开号：WO2019032743A1

  公开（公告）日：2019-02-14

  The present disclosure relates generally to eukaryotic initiation factor 2B modulators, or a pharmaceutically acceptable salt, stereoisomer, mixture of stereoisomers or prodrug thereof, and methods of making and using thereof.

  本公开涉及一般性地对真核起始因子2B调节剂，或其药用盐、立体异构体、立体异构体混合物或前药，以及其制备和使用方法。
• Synthetic studies of fluorine-containing compounds for household insecticides
  作者：Tatsuya Mori、Kazuya Ujihara、Osamu Matsumoto、Kazunori Yanagi、Noritada Matsuo

  DOI：10.1016/j.jfluchem.2007.07.016

  日期：2007.10

  insecticides in our laboratory are described, i.e. amidoflumet, a new trifluoromethanesulfonanilide with high miticidal activity against various house dust mites, Metofluthrin, a potent new fluorinated pyrethroid with extremely high knockdown activity against various mosquitoes, and a new α-pyrone compound, 3-[1R-trans-(2-trifluoromethyl)cyclopropanecarbonyl]-4-hydroxy-6-methyl-2-pyrone with outstanding insecticidal

  描述了我们实验室中三种含氟杀虫剂的发现故事，即amidoflumet，一种对各种室内尘螨具有高杀螨活性的新型三氟甲烷磺酰苯胺，Metofluthrin，一种对各种蚊子具有极高击倒活性的强效新型氟化拟除虫菊酯，以及一种新的α吡喃酮化合物，3- [1 - [R -反式- （2-三氟甲基）环丙烷羰基] -4-羟基-6-甲基-2-吡喃酮与抗出色的杀虫活性德国小蠊。
• [EN] C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF<br/>[FR] AMIDES ISOQUINOLINE LIÉS À C EN TANT QU'INHIBITEURS DE LRRK2, COMPOSITIONS PHARMACEUTIQUES ET UTILISATIONS ASSOCIÉES
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2023055679A1

  公开（公告）日：2023-04-06

  The present invention is directed to certain 2-aminoquinzaoline derivatives of Formula (I): Formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, and R3are as defined herein, which are potent inhibitors of LRRK2 kinase and may be useful in the treatment or prevention of diseases in which the LRRK2 kinase is involved, such as Parkinson's Disease and other diseases and disorders described herein. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which LRRK-2 kinase is involved.