2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethan-1-one | 1391809-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethan-1-one
• 英文别名: Ethanone, 2-chloro-1-(3,3-difluoro-1-pyrrolidinyl)-；2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethanone
• CAS: 1391809-92-9
• 化学式: C₆H₈ClF₂NO
• 分子量: 183.585
• InChiKey: GFMNVIXTDGWELB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethan-1-one 在 硼烷四氢呋喃络合物 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2-(3,3-difluoropyrrolidin-1-yl)ethyl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01360
• 作为产物：
  描述：

  氯乙酰氯 、 3,3-二氟吡咯烷盐酸 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以76 %的产率得到2-chloro-1-(3,3-difluoropyrrolidin-1-yl)ethan-1-one
  参考文献：
  名称：

  [EN] SUBSTITUTED PHENYL-1H-PYRROLO [2, 3-c] PYRIDINE DERIVATIVES
  [FR] DÉRIVÉS DE PHÉNYL-1H-PYRROLO [2, 3-C] PYRIDINE SUBSTITUÉS

  摘要：

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, including but not limited to leukemia, myelodysplastic syndrome (MDS), and myeloproliferative neoplasms (MPN); and diabetes.

  公开号：

  WO2022253167A1

文献信息

• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2014202458A1

  公开（公告）日：2014-12-24

  The present invention discloses compounds according to Formula I: Wherein R 1a, R 1b, R 2, R 4, R5, R 6, R 7, R 8, W, X, Y, Z, Cy, and the subscript a are as defined herein. The present invention relates to compounds inhibiting autotaxin (NPP2 or ENPP2), methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of diseases involving fibrotic diseases,proliferative diseases, inflammatory diseases, autoimmune diseases, respiratory diseases, cardiovascular diseases, neurodegenerative diseases, dermatological disorders, and/or abnormal angiogenesis associated diseases by administering the compound of the invention.

  本发明公开了根据式I的化合物：其中R 1a、R 1b、R 2、R 4、R5、R 6、R 7、R 8、W、X、Y、Z、Cy和下标a如本文所定义。本发明涉及抑制自体脂肪酶（NPP2或ENPP2）的化合物，其制备方法，包含其的药物组合物，以及使用该化合物进行预防和/或治疗涉及纤维化疾病、增殖性疾病、炎症性疾病、自身免疫疾病、呼吸系统疾病、心血管疾病、神经退行性疾病、皮肤病和/或与异常血管生成相关疾病的方法。
• [EN] SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS<br/>[FR] PYRAZOLO-PYRIDINE AMIDES SUBSTITUÉS ET LEUR UTILISATION EN TANT QUE MODULATEURS DU RÉCEPTEUR GLUN2B
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020249792A1

  公开（公告）日：2020-12-17

  Substituted Pyrazolo-pyridines as GluN2B receptor ligands. Such compounds may be used in GluN2B receptor modulation and in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by GluN2B receptor activity.

  取代的吡唑并吡啶作为GluN2B受体配体。此类化合物可用于GluN2B受体的调节，以及用于治疗由GluN2B受体活性介导的疾病状态、紊乱和条件的药物组合物和方法。
• Compounds
  申请人：Aranyl Peter

  公开号：US20050130981A1

  公开（公告）日：2005-06-16

  The present invention relates to new, potent DPP-IV enzyme inhibitors of the general formula (I), which contain fluorine atoms.

  本发明涉及一种新的、有效的DPP-IV酶抑制剂，其通式为(I)，其中含有氟原子。
• FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY
  申请人：Aranyi Peter

  公开号：US20080161310A1

  公开（公告）日：2008-07-03

  The present invention relates to new, potent DPP-IV enzyme inhibitors of the general formula (I), which contain fluorine atoms.

  本发明涉及一种新的，具有氟原子的强效DPP-IV酶抑制剂，其通式为(I)。
• NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND
  申请人：ASTELLAS PHARMA INC.

  公开号：US20150126488A1

  公开（公告）日：2015-05-07

  [Problem] On the basis of a cathepsin S inhibitory effect, an excellent agent for treating or preventing autoimmune disease, allergic disease, graft rejection of an organ, bone marrow or tissue, systemic lupus erythematosus, or the like is provided. [Means for Solution] It was found that a nitrogen-containing bicyclic heterocyclic compound has the excellent cathepsin S inhibitory effect, thereby completing the invention. The compound of the present invention has the cathepsin S inhibitory effect, and can be used as an agent for preventing and/or treating autoimmune disease, allergic disease, graft rejection of an organ, bone marrow or tissue, systemic lupus erythematosus, or the like.

  [问题] 基于对cathepsin S的抑制作用，提供了一种用于治疗或预防自身免疫性疾病、过敏性疾病、器官、骨髓或组织的移植排斥、全身性红斑狼疮等的优秀药剂。 [解决方法] 发现一种含氮的双环杂环化合物具有优异的cathepsin S抑制作用，从而完成了本发明。本发明的化合物具有cathepsin S抑制作用，可用作预防和/或治疗自身免疫性疾病、过敏性疾病、器官、骨髓或组织的移植排斥、全身性红斑狼疮等的药剂。