5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid | 33230-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid
• 英文别名: 5,6,7,8-Tetrahydro-4H-cycloheptaisoxazol-3-carbonsaeure；5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxylic acid
• CAS: 33230-32-9
• 化学式: C₉H₁₁NO₃
• mdl: MFCD04969900
• 分子量: 181.191
• InChiKey: IOXIIOUTRNRNQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid 生成 5,6,7,8-Tetrahydro-4H-cycloheptaisoxazol-3-carbonsaeurehydrazid
  参考文献：
  名称：

  Ruccia,N. et al., Journal of Heterocyclic Chemistry, 1971, vol. 8, p. 289 - 291

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl α,2-dioxocycloheptaneacetate 在 甲醇 、 盐酸羟胺 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid
  参考文献：
  名称：

  Discovery of small molecules that inhibit melanogenesis via regulation of tyrosinase expression

  摘要：

  5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole derivatives were synthesized and evaluated as a novel class of inhibitors for alpha-melanocyte-stimulating hormone (alpha-MSH) induced melanogenesis in a mouse melanoma B16F10 cell line. Compound 8e (IC50 = 0.67 mu M), 8h (IC50 = 1.01 mu M) and 9b (IC50 = 0.99 mu M) exhibited a potent inhibitory activity approximately 85- to 126-fold greater than kojic acid, a well-known potent inhibitor. A biochemical study indicates that the activity of this series should be displayed via down-regulation of the expression of tyrosinase. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.003

文献信息

• MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS
  申请人：Ashraf Muhammad

  公开号：US20180273906A1

  公开（公告）日：2018-09-27

  Provided herein are stem cell and exosome compositions having therapeutic utility to treat a variety of diseases and disorders, e.g., cardiovascular disease, Duchenne muscular dystrophy, and fibrotic disease.
• CPC EXOSOMES MIRNA373 COMBINATION THERAPIES
  申请人：IPS Heart

  公开号：US20210054344A1

  公开（公告）日：2021-02-25

  Steam cell and exosome compositions via combination therapy, related gene therapy and pluripotent stem cell derived muscle regeneration as having therapeutic utility to treat a variety of diseases and disorders, e.g., cardiovascular disease, Duchenne muscular dystrophy, and fibrotic disease.
• [EN] 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES<br/>[FR] DÉRIVÉS DE 6-AZA-QUINOLÉINE ET UTILISATIONS ASSOCIÉES
  申请人：[en]BLACK DIAMOND THERAPEUTICS, INC.

  公开号：WO2023039505A1

  公开（公告）日：2023-03-16

  The present disclosure relates compounds of Formula (0): and pharmaceutically acceptable salts and stereoisomers thereof. The present disclosure also relates to methods of preparing the compounds, compositions comprising the compounds, and methods of using the compounds, e.g., in the treatment of cancer.