(4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methanol | 1216059-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methanol
• 英文别名: (4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methanol；(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanol
• CAS: 1216059-50-5
• 化学式: C₁₀H₁₃NO₂
• mdl: MFCD14543869
• 分子量: 179.219
• InChiKey: CEXPHEHOIYBJSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methanol 在 哌啶 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.17h， 生成 2-[[(E)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)prop-2-enoyl]amino]benzoic acid
  参考文献：
  名称：

  [EN] ANTI-FIBROTIC COMPOUNDS
  [FR] COMPOSÉS ANTI-FIBROTIQUES

  摘要：

  公开号：

  WO2018144620A9
• 作为产物：
  描述：

  2H-1,4-苯并噁嗪-6-甲醛,3,4-二氢-4-甲基-3-羰基- 在 硼烷二甲硫醚络合物 、 甲醇 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 (4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methanol
  参考文献：
  名称：

  [EN] ANTI-FIBROTIC COMPOUNDS
  [FR] COMPOSÉS ANTI-FIBROTIQUES

  摘要：

  公开号：

  WO2018144620A9

文献信息

• [EN] OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS<br/>[FR] ACIDES OXO-TÉTRAHYDRO-ISOQUINOLINE CARBOXYLIQUES EN TANT QU'INHIBITEURS DE LA PROTÉINE STING
  申请人：MERCK SHARP & DOHME

  公开号：WO2019182886A1

  公开（公告）日：2019-09-26

  The instant invention provides compounds of formula I which are STING inhibitors, and as such are useful for the treatment of STING-mediated diseases such as inflammation, asthma, COPD and cancer.

  本发明提供了一种式I的化合物，这些化合物是STING抑制剂，因此可用于治疗STING介导的疾病，如炎症、哮喘、慢性阻塞性肺病（COPD）和癌症。
• Anti-fibrotic compounds
  申请人：Certa Therapeutics Pty Ltd

  公开号：US11014873B2

  公开（公告）日：2021-05-25

  Provided herein are anti-fibrotic compounds, in particular those of Formula (I), that inhibit the TGF-beta signaling pathway. Also provided are pharmaceutical compositions comprising the anti-fibrotic compounds, and methods of treating diseases or conditions associated with fibrosis, inflammation, and benign or malignant neoplastic diseases in a subject by administering a compound or composition described herein. (Formula (I))

  本文提供了抑制 TGF-beta 信号通路的抗纤维化化合物，特别是式（I）化合物。还提供了包含抗纤维化化合物的药物组合物，以及通过施用本文所述化合物或组合物治疗受试者与纤维化、炎症、良性或恶性肿瘤疾病相关的疾病或病症的方法。式（I
• Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US11311528B2

  公开（公告）日：2022-04-26

  The instant invention provides compounds of formula I which are STING inhibitors, and as such are useful for the treatment of STING-mediated diseases such as inflammation, asthma, COPD and cancer.

  本发明提供的式 I 化合物是 STING 抑制剂，因此可用于治疗 STING 介导的疾病，如炎症、哮喘、慢性阻塞性肺病和癌症。
• Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING
  作者：Tony Siu、Michael D. Altman、Gretchen A. Baltus、Matthew Childers、J. Michael Ellis、Hakan Gunaydin、Harold Hatch、Thu Ho、James Jewell、Brian M. Lacey、Charles A. Lesburg、Bo-Sheng Pan、Berengere Sauvagnat、Gottfried K. Schroeder、Serena Xu

  DOI：10.1021/acsmedchemlett.8b00466

  日期：2019.1.10

  Drugging large protein pockets is a challenge due to the need for higher molecular weight ligands, which generally possess undesirable physicochemical properties. In this communication, we highlight a strategy leveraging small molecule active site dimers to inhibit the large symmetric binding pocket in the STING protein. By taking advantage of the 2:1 binding stoichiometry, maximal buried interaction with STING protein can be achieved while maintaining the ligand physicochemical properties necessary for oral exposure. This mode of binding requires unique considerations for potency optimization including simultaneous optimization of protein ligand as well as ligand ligand interactions. Successful implementation of this strategy led to the identification of 18, which exhibits good oral exposure, slow binding kinetics, and functional inhibition of STING-mediated cytokine release.
• OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3768266A1

  公开（公告）日：2021-01-27