3-异丙基-4,5,6,7-四氢-2,1-苯并恶唑 | 83666-01-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-异丙基-4,5,6,7-四氢-2,1-苯并恶唑
• 中文别名: 苯酰胺,3-氯-N-(4-氰基-3-甲基-5-异[口噁]唑基)-
• 英文名称: 5-isopropyl-3,4-tetramethyleneisoxazole
• 英文别名: 3,4,5,6-Tetrahydro-7-(methylethyl)benzisoxazole；3-Isopropyl-4,5,6,7-tetrahydrobenzo[c]isoxazole；3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
• CAS: 83666-01-7
• 化学式: C₁₀H₁₅NO
• 分子量: 165.235
• InChiKey: BLGKDFSVDCTBGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环己酮肟 、 N-甲氧基-N-甲基异丁酰胺 在 正丁基锂 、 硫酸 作用下， 生成 3-异丙基-4,5,6,7-四氢-2,1-苯并恶唑
  参考文献：
  名称：

  Regiospecific Synthesis of 3-Substituted 5-Alkylisoxazoles from Oxime Dianions and N-Methoxy-N-Methylalkylamides

  摘要：

  DOI：

  10.1021/jo00098a054

文献信息

• [EN] STING AGONISTS AND USES THEREOF<br/>[FR] AGONISTES DE STING ET LEURS UTILISATIONS
  申请人：NIMBUS TITAN INC

  公开号：WO2020132582A1

  公开（公告）日：2020-06-25

  The present invention provides compounds, compositions thereof, and methods of using the same for the modulation of STING, and the treatment of STING-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物调节STING并治疗STING介导的疾病的方法。
• Regiospecific synthesis of 3-substituted-5-alkylisoxazoles by modification of the dilithiooxime route to isoxazoles
  作者：Dennis H. Hoskin、R. A. Olofson

  DOI：10.1021/jo00147a042

  日期：1982.12
• HOSKIN, D. H.;OLOFSON, R. A., J. ORG. CHEM., 1982, 47, N 26, 5222-5225
  作者：HOSKIN, D. H.、OLOFSON, R. A.

  DOI：——

  日期：——
• AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF
  申请人：Epizyme, Inc.

  公开号：US20200039998A1

  公开（公告）日：2020-02-06

  The present disclosure relates to amine-substituted heterocyclic compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., cancer) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted heterocyclic compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.
• COMBINATION THERAPIES WITH EHMT2 INHIBITORS
  申请人：Epizyme, Inc.

  公开号：US20200054635A1

  公开（公告）日：2020-02-20

  The present disclosure relates to a method of preventing or treating a cancer via administering an EHMT2 inhibitor or a combination comprising an EHMT2 inhibitor compound and one or more additional therapeutic agent disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds or combinations for research or other non-therapeutic purposes.