3-Isopropylisoxazole-5-carbonitrile | 1217862-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Isopropylisoxazole-5-carbonitrile
• 英文别名: 3-propan-2-yl-1,2-oxazole-5-carbonitrile
• CAS: 1217862-28-6
• 化学式: C₇H₈N₂O
• mdl: MFCD15146531
• 分子量: 136.15
• InChiKey: CFWJELPCJZDRRO-UHFFFAOYSA-N

物化性质

• 沸点：
  222.0±28.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

文献信息

• PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE
  申请人：Nocion Therapeutics, Inc.

  公开号：US20210128589A1

  公开（公告）日：2021-05-06

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  本发明提供了式(I)的化合物，或其药用可接受的盐： 本发明的化合物、组合物、方法和试剂盒可用于治疗疼痛、瘙痒和神经性炎症。
• Charged ion channel blockers and methods for use
  申请人：Nocion Therapeutics, Inc.

  公开号：US10842798B1

  公开（公告）日：2020-11-24

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  该发明提供了公式(I)的化合物或其药学上可接受的盐：该发明的化合物、组合物、方法和试剂盒对于治疗疼痛、瘙痒和神经源性炎症是有用的。
• 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT
  申请人：Confluence Life Sciences Inc.

  公开号：US20150203499A1

  公开（公告）日：2015-07-23

  The present disclosure provides 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds, pharmaceutically acceptable salts, solvates and pharmaceutical compositions of compounds embraced by Formula (I), providing a therapeutic benefit to subjects with disease conditions, especially cancer, wherein R 1 and R 2 are as defined in the detailed description.

  本公开提供4-烷氧基/芳氧基-5-取代-吡咯蒽嘧啶化合物、药学上可接受的盐、溶剂和由式(I)所包含的化合物组成的制药组合物，为患有疾病情况的受试者提供治疗益处，特别是癌症，其中R1和R2如详细说明中所定义。
• Ester substituted ion channel blockers and methods for use
  申请人：Nocion Therapeutics, Inc.

  公开号：US10927096B2

  公开（公告）日：2021-02-23

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  本发明提供了式（I）化合物或其药学上可接受的盐类： 本发明的化合物、组合物、方法和试剂盒可用于治疗疼痛、瘙痒和神经源性炎症。
• Charged Ion Channel Blockers and Methods for Use
  申请人：Nocion Therapeutics, Inc.

  公开号：US20200290953A1

  公开（公告）日：2020-09-17

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.