methyl 4,4-dimethylcyclohexanecarboxylate | 828271-17-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 4,4-dimethylcyclohexanecarboxylate
• 英文别名: Methyl 4,4-dimethylcyclohexane-1-carboxylate
• CAS: 828271-17-6
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: MVWGBEVPVXGISV-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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-溴-2-羟基-5-甲基苯基)乙酮 、 methyl 4,4-dimethylcyclohexanecarboxylate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以62 %的产率得到1-(3-bromo-2-hydroxy-5-methylphenyl)-3-(4,4-dimethylcyclohexyl)propane-1,3-dione
  参考文献：
  名称：

  [EN] ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE
  [FR] INHIBITEURS CHROMÉNONES ALLOSTÉRIQUES DE LA PHOSPHOINOSITIDE 3-KINASE (PI3K) POUR LE TRAITEMENT D'UNE MALADIE

  摘要：

  The disclosure relates to compounds of Formula (I) as allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) useful in the treatment of diseases or disorders associated with P13K modulation, Formula (I): or pharmaceutically acceptable salts thereof wherein R, R1, R2, R3, R4, R5, R6, R7, and R8, are as defined herein. The disclosure also relates to methods of making and using compounds of Formula (I) or pharmaceutically acceptable salts thereof.

  公开号：

  WO2023056407A1

文献信息

• ISOINDOLINE INHIBITORS OF ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS, INC.

  公开号：US20160122318A1

  公开（公告）日：2016-05-05

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了化合物的新颖结构式（I）：其药用盐，以及其药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含新颖结构式（I）化合物的药物组合物，以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。
• Peptide deformylase inhibitors
  申请人：Aubart M. Kelly

  公开号：US20060160802A1

  公开（公告）日：2006-07-20

  Novel PDF inhibitors and novel methods for their use are provided.

  提供了新型PDF抑制剂和其使用的新方法。
• THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS, INC.

  公开号：US20170008910A1

  公开（公告）日：2017-01-12

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by ROR . Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.
• US7332485B2
  申请人：——

  公开号：US7332485B2

  公开（公告）日：2008-02-19
• US9845308B2
  申请人：——

  公开号：US9845308B2

  公开（公告）日：2017-12-19