3-Chlor-4-ethyl-benzoesaeure | 67648-07-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Chlor-4-ethyl-benzoesaeure
• 英文别名: 3-Chloro-4-ethylbenzoic acid
• CAS: 67648-07-1
• 化学式: C₉H₉ClO₂
• mdl: MFCD18410966
• 分子量: 184.622
• InChiKey: OSIAOEJRKVOTDE-UHFFFAOYSA-N

物化性质

• 熔点：
  156-157 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  296.8±28.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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：

  3-氨基-4-乙基苯甲酸 、 亚硝酸 、 盐酸 生成 3-Chlor-4-ethyl-benzoesaeure
  参考文献：
  名称：

  MERCHANT J. R.; DESHPANDE A. R.; JADHAV R. G., INDIAN J. CHEM., 1978, B16, NO 5, 385-388

  摘要：

  DOI：

文献信息

• RORgammaT INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150297566A1

  公开（公告）日：2015-10-22

  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 conditions.

  本发明涉及公式I或其药学上可接受的盐或溶剂的化合物。这些化合物可用于治疗RORgammaT介导的疾病或病状。
• Isotopically-stabilized tetronimide compounds
  申请人：Midwestern University

  公开号：US10961211B2

  公开（公告）日：2021-03-30

  Isotopically-stabilized tetronimide compounds comprising one or more deuterium atoms, derivatives, and intermediates, thereof, including methods for their synthesis, pharmaceutical compositions thereof, and methods of using these compounds to interact with target molecules in cell-free samples, cell- and tissue-based assays, animal models, and in a subject are disclosed. One aspect relates to molecules that modulate the expression or catalytic activity of aspartyl (asparaginyl) β-hydroxylase (ASPH) within or on the surface of a cell. Other aspects of the invention relate to use of the molecules disclosed herein to diagnose, ameliorate, or treat cell proliferation disorders and related diseases. Related aspects include uses of the compounds to modulate the activity of viruses, as anti-hyperlipidemia agents, and as agents to ameliorate or treat thrombosis and related cardiovascular and metabolic disorders.

  本发明公开了包含一个或多个氘原子的同位素稳定的四亚胺化合物、其衍生物和中间体，包括其合成方法、其药物组合物，以及使用这些化合物在无细胞样本、基于细胞和组织的检测、动物模型和受试者体内与靶分子相互作用的方法。一个方面涉及调节细胞内或细胞表面天冬氨酰（天冬酰胺酰）β-羟化酶（ASPH）的表达或催化活性的分子。本发明的其它方面涉及本文公开的分子用于诊断、改善或治疗细胞增殖障碍及相关疾病。相关方面包括使用本发明的化合物调节病毒的活性、作为抗高脂血症的药物、以及作为改善或治疗血栓形成及相关心血管和代谢疾病的药物。
• Compounds and methods for inducing chondrogenesis
  申请人：The Scripps Research Institute

  公开号：US11045476B2

  公开（公告）日：2021-06-29

  Described herein are compounds and compositions for the amelioration of arthritis or joint injuries by inducing mesenchymal stem cells into chondrocytes.

  本文描述了通过诱导间充质干细胞转化为软骨细胞来改善关节炎或关节损伤的化合物和组合物。
• COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS
  申请人：The Scripps Research Institute

  公开号：US20200188407A1

  公开（公告）日：2020-06-18

  Described herein are compounds and compositions for the amelioration of arthritis or joint injuries by inducing mesenchymal stem cells into chondrocytes.
• Isotopically-Stabilized Tetronimide Compounds
  申请人：Midwestern University

  公开号：US20200262804A1

  公开（公告）日：2020-08-20

  Isotopically-stabilized tetronimide compounds comprising one or more deuterium atoms, derivatives, and intermediates, thereof, including methods for their synthesis, pharmaceutical compositions thereof, and methods of using these compounds to interact with target molecules in cell-free samples, cell- and tissue-based assays, animal models, and in a subject are disclosed. One aspect relates to molecules that modulate the expression or catalytic activity of aspartyl (asparaginyl) β-hydroxylase (ASPH) within or on the surface of a cell. Other aspects of the invention relate to use of the molecules disclosed herein to diagnose, ameliorate, or treat cell proliferation disorders and related diseases. Related aspects include uses of the compounds to modulate the activity of viruses, as anti-hyperlipidemia agents, and as agents to ameliorate or treat thrombosis and related cardiovascular and metabolic disorders.