甲基3-甲基异烟酸酯盐酸盐 | 1173025-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 甲基3-甲基异烟酸酯盐酸盐
• 英文名称: Methyl 3-methylpyridine-4-carboxylate hydrochloride
• 英文别名: Methyl 3-methylisonicotinate hydrochloride；methyl 3-methylpyridine-4-carboxylate;hydrochloride
• CAS: 1173025-60-9
• 化学式: C₈H₉NO₂*ClH
• 分子量: 187.626
• InChiKey: JEQLOTQGCMGJGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基3-甲基异烟酸酯盐酸盐 在 platinum(IV) oxide 氢气 、 sodium methylate 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 84.0h， 生成 trans-Methyl 3-methylpiperidine-4-carboxylate
  参考文献：
  名称：

  Snow, Roger J.; Baker, Raymond; Herbert, Richard H., Journal of the Chemical Society. Perkin transactions I, 1991, # 2, p. 409 - 420

  摘要：

  DOI：

文献信息

• Tricyclic sulfones as RORγ modulators
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10273259B2

  公开（公告）日：2019-04-30

  There are described RORγ modulators of the formula (I), and formula (II) or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了式 (I) 的 RORγ 调节剂、 和式(II) 或其立体异构体、同系物、药学上可接受的盐、溶液或原药，其中所有取代基均在本文中定义。还提供了包含上述化合物的药物组合物。此类化合物和组合物可用于调节细胞中RORγ活性的方法和治疗患有疾病或失调的受试者的方法，其中受试者将从调节RORγ活性中获得治疗益处，例如自身免疫和/或炎症性失调。
• TRICYCLIC SULFONES AS ROR MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3292101A1

  公开（公告）日：2018-03-14
• TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3292101B1

  公开（公告）日：2021-07-28
• TRICYCLIC SULFONES AS RORy MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160326195A1

  公开（公告）日：2016-11-10

  There are described RORγ modulators of the formula (I), and formula (II) or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.
• TRICYCLIC SULFONES AS ROR GAMMA MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20180002358A1

  公开（公告）日：2018-01-04

  There are described RORγ modulators of the formula (I), and formula (II) or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.