(1S)-6,6-Difluorospiro[2.5]octane-1-carboxylic acid

• 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: (1S)-6,6-Difluorospiro[2.5]octane-1-carboxylic acid
• 英文别名: (2S)-6,6-difluorospiro[2.5]octane-2-carboxylic acid
• 化学式: C₉H₁₂F₂O₂
• 分子量: 190.19
• InChiKey: HWDQLQCPHNGWIW-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DES VIRUS ÉBOLA ET DE LA FIÈVRE DE LASSA, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：HARVARD COLLEGE

  公开号：WO2019051396A1

  公开（公告）日：2019-03-14

  Disclosed herein are compounds having a structure of formula (I), compositions and methods useful for the treatment of a disease or infection, such as a viral infection (e.g., Ebola), cancer and obesity: formula (I), wherein A is N or CR8; Z is formula (II); E is selected from optionally substituted alkyl, cycloalkyl, arylalkyl, cycloalkylalkyl, amino, alkoxy, cycloalkyloxy, and cycloalkylamino; R1 is selected from optionally substituted aryl and heteroaryl, R2 and R3 are independently selected from H, deutero, optionally substituted alkyl, haloalkyl, or R2 and R3, together with the carbon to which they are bound, combine to form a carbonyl; and R8 is selected from H, deutero, halo, hydroxyl, cyano, amino, alkyl, alkoxy, carboxy, alkoxycarbonyl, and aminocarbonyl, provided that E is not formula (III).

  本文揭示了具有以下结构的化合物，以及用于治疗疾病或感染（如病毒感染（例如埃博拉）、癌症和肥胖）的组合物和方法：式（I），其中A为N或CR8；Z为式（II）；E选自可选择取代的烷基、环烷基、芳基烷基、环烷基烷基、氨基、烷氧基、环烷氧基和环烷基氨基；R1选自可选择取代的芳基和杂环芳基，R2和R3分别选自H、氘、可选择取代的烷基、卤代烷基，或R2和R3与其结合的碳共同形成羰基；R8选自H、氘、卤、羟基、氰基、氨基、烷基、烷氧基、羧基、烷氧羰基和氨基羰基，但E不是式（III）。
• [EN] ANTAGONISTS OF MRGX2<br/>[FR] ANTAGONISTES DE MRGX2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2022152853A1

  公开（公告）日：2022-07-21

  This application relates to compounds of Formula I which are antagonists of MrgX2 (Mas-related Gene X2) and thus are useful as therapeutic agents, specifically therapeutic agents for use in the treatment of chronic spontaneous urticaria, mastocytosis, cold urticaria, atopic dermatitis, rosacea, Crohn's disease, ulcerative colitis, irritable bowel syndrome, rheumatoid arthritis, fibromyalgia, nasal polyps, neuropathic pain, inflammatory pain, chronic itch, drug- induced anaphylactoid reactions, metabolic syndrome, oesophagus reflux, asthma, cough, or migraine.

  本发明涉及公式I的化合物，其为MrgX2（Mas相关基因X2）的拮抗剂，因此可作为治疗剂使用，具体用于治疗慢性自发性荨麻疹、肥大细胞增多症、寒冷性荨麻疹、特应性皮炎、酒渣鼻、克罗恩病、溃疡性结肠炎、肠易激综合征、类风湿性关节炎、纤维肌痛、鼻息肉、神经痛、炎症性疼痛、慢性瘙痒、药物诱导的过敏反应、代谢综合征、食道反流、哮喘、咳嗽或偏头痛的治疗剂。