2'-ethyl-[1,1'-biphenyl]-3-carbaldehyde | 1255638-11-9

• 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: 2'-ethyl-[1,1'-biphenyl]-3-carbaldehyde
• 英文别名: 3-(2-Ethylphenyl)benzaldehyde
• CAS: 1255638-11-9
• 化学式: C₁₅H₁₄O
• 分子量: 210.276
• InChiKey: ZOOAAZIWLREDQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2'-ethyl-[1,1'-biphenyl]-3-carbaldehyde 、 3-(4-氨基-2-氟-苯基)-丙酸 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以38%的产率得到3-(4-(((2'-ethyl-[1,1'-biphenyl]-3-yl)methyl)amino)-2-fluorophenyl)propanoic acid
  参考文献：
  名称：

  Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonists: Mesylpropoxy Appendage Lowers Lipophilicity and Improves ADME Properties

  摘要：

  FFA1 (GPR40) is a new target for treatment of type 2 diabetes. We recently identified the potent FFA1 agonist TUG-469 (5). Inspired by the structurally related TAK-875, we explored the effects of a mesylpropoxy appendage on S. The appendage significantly lowers lipophilicity and improves metabolic stability while preserving potency, resulting in discovery of the potent FFA1 agonist 13.

  DOI：

  10.1021/jm3002026
• 作为产物：
  描述：

  2-溴乙苯 、 3-甲酰基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 以62%的产率得到2'-ethyl-[1,1'-biphenyl]-3-carbaldehyde
  参考文献：
  名称：

  Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonists: Mesylpropoxy Appendage Lowers Lipophilicity and Improves ADME Properties

  摘要：

  FFA1 (GPR40) is a new target for treatment of type 2 diabetes. We recently identified the potent FFA1 agonist TUG-469 (5). Inspired by the structurally related TAK-875, we explored the effects of a mesylpropoxy appendage on S. The appendage significantly lowers lipophilicity and improves metabolic stability while preserving potency, resulting in discovery of the potent FFA1 agonist 13.

  DOI：

  10.1021/jm3002026

文献信息

• [EN] NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS<br/>[FR] NOUVEAUX LIGANDS ETANT DES INHIBITEURS DE RECEPTEURS RAR, PROCEDE DE FABRICATION ET UTILISATION DE CEUX-CI DANS LA MEDECINE HUMAINE ET EN COSMETIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2003101928A1

  公开（公告）日：2003-12-11

  The invention relates to novel biaryl compounds corresponding to the general formula (I) below: and to the method for preparing them, and to their use in pharmaceutical compositions intended for use in human or veterinary medicine, or alternatively in cosmetic compositions.

  本发明涉及下述通式（I）的新颖联芳基化合物：以及制备它们的方法，以及它们在旨在用于人类或兽医学的药物组合物中的用途，或者作为替代，在化妆品组合物中的用途。
• NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS
  申请人：Galderma Research & Development, S.N.C.

  公开号：EP1513793A1

  公开（公告）日：2005-03-16
• Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonists: Mesylpropoxy Appendage Lowers Lipophilicity and Improves ADME Properties
  作者：Elisabeth Christiansen、Maria E. Due-Hansen、Christian Urban、Manuel Grundmann、Ralf Schröder、Brian D. Hudson、Graeme Milligan、Michael A. Cawthorne、Evi Kostenis、Matthias U. Kassack、Trond Ulven

  DOI：10.1021/jm3002026

  日期：2012.7.26

  FFA1 (GPR40) is a new target for treatment of type 2 diabetes. We recently identified the potent FFA1 agonist TUG-469 (5). Inspired by the structurally related TAK-875, we explored the effects of a mesylpropoxy appendage on S. The appendage significantly lowers lipophilicity and improves metabolic stability while preserving potency, resulting in discovery of the potent FFA1 agonist 13.