3-Methyl-4-isopropyl-benzoesaeure | 104175-29-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-Methyl-4-isopropyl-benzoesaeure
• 英文别名: 3-Methyl-4-(propan-2-yl)benzoic acid；3-methyl-4-propan-2-ylbenzoic acid
• CAS: 104175-29-3
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: MBRCYQOQDGYLIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-异丙基-3-甲基苯甲醛 在 氢氧化钾 作用下， 生成 3-Methyl-4-isopropyl-benzoesaeure
  参考文献：
  名称：

  Royer,R. et al., Bulletin de la Societe Chimique de France, 1960, p. 278 - 280

  摘要：

  DOI：

文献信息

• MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS
  申请人：Hadida Ruah Sara S.

  公开号：US20130296364A1

  公开（公告）日：2013-11-07

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• Inhibiting fatty acid synthase (FASN)
  申请人：FORMA Therapeutics, Inc.

  公开号：US10875848B2

  公开（公告）日：2020-12-29

  The present disclosure is directed to inhibitors of FASN. The compounds can be useful in the treatment of disease or disorders associated with the inhibition of FASN. For instance, the disclosure is concerned with compounds and compositions for inhibition of FASN, methods of treating, preventing, or ameliorating diseases or disorders associated with the inhibition of FASN, and methods of synthesis of these compounds.

  本公开涉及 FASN 的抑制剂。这些化合物可用于治疗与抑制 FASN 有关的疾病或紊乱。例如，本公开涉及用于抑制 FASN 的化合物和组合物，治疗、预防或改善与 FASN 抑制相关的疾病或紊乱的方法，以及合成这些化合物的方法。
• Viral Polymerase Inhibitors
  申请人：Coulombe Rene

  公开号：US20070219176A1

  公开（公告）日：2007-09-20

  Compounds of formula I: wherein X, R 2 , R 3 , R 5 and R 6 are defined herein, are useful as inhibitors of the hepatitis C virus NS5B polymerase.
• SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES
  申请人：Pierce Joan M.

  公开号：US20120095001A1

  公开（公告）日：2012-04-19

  The present invention relates to substituted 1,3,8-triazaspiro[4.5]decame-2,4-diones useful as HIF prolyl hydroxylase inhibitors to treat anemia and like conditions.
• RORgammaT INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170340610A1

  公开（公告）日：2017-11-30

  The present invention relates to compounds according to Formula (I) or a pharmaceutically acceptable salt or solvate thereof. Such compounds can be used in the treatment of RORgammaT-mediated diseases or condition.