2-(4-(2-(1-Heptyl-3-(2,4-difluorophenyl)ureido)ethyl)phenoxy)-2-methylbutanoic Acid | 190844-95-2

• 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-(4-(2-(1-Heptyl-3-(2,4-difluorophenyl)ureido)ethyl)phenoxy)-2-methylbutanoic Acid
• 英文别名: [3H]-LY 427697；LY 427697；Butanoic acid, 2-(4-(2-((((2,4-difluorophenyl)amino)carbonyl)heptylamino)ethyl)phenoxy)-2-methyl-；2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid
• CAS: 190844-95-2
• 化学式: C₂₇H₃₆F₂N₂O₄
• 分子量: 490.591
• InChiKey: VGSJXSLGVQINOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-(2-(1-Heptyl-3-(2,4-difluorophenyl)ureido)ethyl)phenoxy)-2-methylbutanoic Acid 在 (η-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) tetrafluoroborate 超重氢 作用下， 以 二氯甲烷 为溶剂， 生成 2-[4-[2-[(2,4-Difluoro-6-tritiophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid
  参考文献：
  名称：

  Direct tritium labeling of multifunctional compounds using organoiridium catalysis. 2.

  摘要：

  A variety of complex compounds have been labeled with tritium gas by catalytic exchange in the presence of catalyst precursors [(cod)Ir(dppe)]BF4 or [(cod)Ir(py)(PCy3)]BF4. In most cases, predictable regioselectivity and high specific activities are achieved. These results are compared in some cases to the results of labeling related compounds with [(cod)Ir(PPh3)(2)]BF4. Prereduction of the catalyst precursors in situ with hydrogen allows the use of smaller quantities of tritium gas and reduces the amount of radioactive waste. Two or more compounds can be labeled simultaneously as mixtures then separated in the HPLC purification step to increase compound throughput.

  DOI：

  10.1002/(sici)1099-1344(199908)42:8<797::aid-jlcr240>3.0.co;2-o

文献信息

• [EN] LEUKOTRIENE B4 ANTAGONIST COMPOUND<br/>[FR] COMPOSÉ ANTAGONISTE DES LEUCOTRIÈNES B4
  申请人：LILLY CO ELI

  公开号：WO2013106238A1

  公开（公告）日：2013-07-18

  The present invention provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof. Also, the present invention provides a pharmaceutical composition comprising a compound of Formula (I) or a pharmaceutically acceptable salt thereof and a pharmaceutically acceptable carrier. The present invention further provides methods for treating abdominal aortic aneurysm or atherosclerosis comprising administering a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof or a pharmaceutical composition comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of a compound of Formula (I) or pharmaceutically acceptable salt thereof.

  本发明提供了一种化合物，其化学式为（I）：或其药学上可接受的盐。此外，本发明还提供了一种包括化合物（I）或其药学上可接受的盐以及药学上可接受的载体的药物组合物。本发明还提供了治疗腹主动脉瘤或动脉粥样硬化的方法，包括给予化合物（I）或其药学上可接受的盐的治疗有效量，或者包括药学上可接受的载体和化合物（I）或其药学上可接受的盐的治疗有效量的药物组合物。
• [EN] SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS<br/>[FR] OXAZOLES SUBSTITUES ET DERIVES DE THIAZOLES COMME ACTIVATEURS DE ALPHA hPPAR ET DE GAMMA hPPAR
  申请人：GLAXO GROUP LTD

  公开号：WO2000008002A1

  公开（公告）日：2000-02-17

  The present invention discloses compounds of formula (I), and tautomeric forms, pharmaceutically acceptable salts, or solvates thereof. Preferably, the compounds of the invention are dual activators of hPPARη and hPPARα.

  本发明揭示了公式（I）的化合物，以及其互变异构体、药学上可接受的盐或溶剂。优选地，本发明的化合物是hPPARη和hPPARα的双激活剂。
• [EN] SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS HPPAR ALPHA ACTIVATORS<br/>[FR] DERIVES D'OXAZOLES ET DE THIAZOLES SUBSTITUES EN TANT QU'ACTIVATEURS HPPAR (RECEPTEUR ACTIVE DE PROLIFERATION DU PERIXOSOME HUMAIN) ALPHA
  申请人：GLAXO GROUP LTD

  公开号：WO2001040207A1

  公开（公告）日：2001-06-07

  A compound of formula (I) and pharmaceutically acceptable salts, solvates and hydrolysable esters thereof wherein; X1 represents O or S; R?1 and R2¿ independently represent H, halogen, -CH¿3? and -OCH3; n represents 1 or 2; X2 represents NH, NCH3 or O; One of Y and Z is N, and the other is O or S; R?3¿ represents phenyl or pyridyl (wherein the N is in position 2 or 3) and is optionally substituted by one or more halogen, NO¿2?, NH2, CF3, OCF3, OC1-6 straight or branched alkyl, C1-6 straight or branched alkyl, alkenyl or alkynyl with the provision that when R?3¿ is pyridyl, the N is unsubstituted; R4 represents CF¿3? or CH3.

  化合物的公式（I）及其药学上可接受的盐、溶剂合物和可水解酯，其中：X1代表O或S；R?1和R2¿独立地代表H，卤素，-CH¿3?和-OCH3；n代表1或2；X2代表NH，NCH3或O；Y和Z中的一个是N，另一个是O或S；R?3¿代表苯基或吡啶基（其中N位于2或3位），并且可以被一个或多个卤素，NO¿2？ ，NH2，CF3，OCF3，OC1-6直链或支链烷基，C1-6直链或支链烷基，烯基或炔基取代，但当R?3¿为吡啶基时，N未被取代；R4代表CF¿3？或CH3。
• Combination therapy using a dual ppar alpha/gamma agonist and an angiotensin II type I receptor antagonist
  申请人：Waldstreicher Joanne

  公开号：US20060167045A1

  公开（公告）日：2006-07-27

  The present invention relates to the treatment of hypertension and type 2 diabetes, Metabolic Syndrome or a pre-diabetic state, by the administration of a therapeutically effective amount of a combination of a dual PPARα/γ agonist and an Angiotensin II type I receptor antagonist, including pharmaceutically acceptable salts and solvates of said active ingredients.

  本发明涉及通过给药治疗有效量的 PPARα/γ 双激动剂和血管紧张素 II I 型受体拮抗剂的组合，包括所述活性成分的药学上可接受的盐和溶液，来治疗高血压和 2 型糖尿病、代谢综合征或糖尿病前期状态。
• SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1102757B1

  公开（公告）日：2004-04-14