4-hydroxytetrahydro-2H-thiopyran-4-carboxylic acid | 50289-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 4-hydroxytetrahydro-2H-thiopyran-4-carboxylic acid
• 英文别名: 4-hydroxy-tetrahydro-thiopyran-4-carboxylic acid；4-Hydroxy-tetrahydro-thiopyran-4-carbonsaeure；4-Hydroxythiane-4-carboxylic acid
• CAS: 50289-21-9
• 化学式: C₆H₁₀O₃S
• mdl: MFCD14628640
• 分子量: 162.21
• InChiKey: FZYKJBAASYSRCW-UHFFFAOYSA-N

物化性质

• 沸点：
  367.7±42.0 °C(Predicted)
• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  82.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-hydroxytetrahydro-2H-thiopyran-4-carbonitrile 在 盐酸 作用下， 生成 4-hydroxytetrahydro-2H-thiopyran-4-carboxylic acid
  参考文献：
  名称：

  Bennett; Waddington, Journal of the Chemical Society, 1929, p. 2831

  摘要：

  DOI：

文献信息

• [EN] TRICYCLIC SULFONES AS ROR GAMMA MODULATORS<br/>[FR] SULFONES TRICYCLIQUES EN TANT QUE MODULATEURS DE ROR GAMMA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018071314A1

  公开（公告）日：2018-04-19

  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.

  描述了公式(I)、公式(II)或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药的RORγ调节剂，其中所有取代基在此处定义。还提供了包含这些化合物的药物组合物。这些化合物和组合物在调节细胞中的RORγ活性的方法以及治疗患有需要通过调节RORγ活性获益的疾病或紊乱的受试者的方法中是有用的，例如自身免疫和/或炎症性疾病。
• Tricyclic sulfones as RORγ modulators
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10968177B2

  公开（公告）日：2021-04-06

  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) 和式 (II) 的 RORγ 调节剂或其立体异构体、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此定义。此外，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。
• Bennett; Waddington, Journal of the Chemical Society, 1929, p. 2831
  作者：Bennett、Waddington

  DOI：——

  日期：——
• TRICYCLIC SULFONES AS ROR GAMMA MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20190233374A1

  公开（公告）日：2019-08-01

  There are described ROR γ 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 ROR γ 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 ROR γ activity, for example, autoimmune and/or inflammatory disorders.
• Bradykinin B1 receptor antagonists: An α-hydroxy amide with an improved metabolism profile
  作者：Scott D. Kuduk、Ronald K. Chang、Robert M. DiPardo、Christina N. Di Marco、Kathy L. Murphy、Richard W. Ransom、Duane R. Reiss、Cuyue Tang、Thomayant Prueksaritanont、Douglas J. Pettibone、Mark G. Bock

  DOI：10.1016/j.bmcl.2008.07.126

  日期：2008.9

  A series of carbo-and heterocyclic alpha-hydroxy amide-derived bradykinin B(1) antagonists were prepared and evaluated. A 4,4-difluorocyclohexyl alpha-hydroxy amide was incorporated along with a 2-methyl tetrazole in lieu of an oxadiazole to afford a suitable compound with good pharmacokinetic properties, CNS penetration, and clearance by multiple metabolic pathways. (C) 2008 Elsevier Ltd. All rights reserved.