(S)-3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl]-2-[2-(1-phenylmethanoyl)phenylamino]propionic acid | 692257-85-5

• 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: (S)-3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl]-2-[2-(1-phenylmethanoyl)phenylamino]propionic acid
• 英文别名: (S)-3-[3'-(3-heptyl-1-methylureido)biphenyl4-yl]-2-[2-(1-phenylmethanoyl)phenylamino]-propionic acid；2-(S)-2-(2-BENZOYLPHENYLAMINO)-3-[3`-(3-HEPTYL-1-METHYLUREIDO) BIPHENYL-4-YL] propionic acid；2-(S)-2-(2-bENZOYLPHENYLAMINO)-3-[3`-(3-HEPTYL-1-METHYLUREIDO) BIPHENYL-4-YL]propionic acid；(S)-2-(2-benzoylphenylamino)-3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl)propionic acid；(2S)-2-(2-benzoylanilino)-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid
• CAS: 692257-85-5
• 化学式: C₃₇H₄₁N₃O₄
• 分子量: 591.75
• InChiKey: AMBVLRHZLDKAJJ-UMSFTDKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  98.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl]-2-[2-(1-phenylmethanoyl)phenylamino]propionic acid 、 1-氨基戊烷 在 PS-carbodiimide resin 、 O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 MP-carbonate 作用下， 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 以100%的产率得到(S)-2-(2-BENZOYLPHENYLAMINO)-3-[3'-(3-heptyl-l-methylureido) biphenyl-4-yl]-N-pentyl-propionamide
  参考文献：
  名称：

  [EN] BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS
  [FR] NOUVEAUX COMPOSES BIAROMATIQUES QUI ACTIVENT LES RECEPTEURS TYPE PPAR DOLLAR G(G), ET LEUR UTILISATION DANS LES COMPOSITIONS COSMETIQUES ET PHARMACEUTIQUES

  摘要：

  公开号：

  WO2004046091A3
• 作为产物：
  描述：

  ethyl (S)-3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl]-2-[2-(1-phenylmethanoyl)phenylamino]propionate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 6.0h， 以77%的产率得到(S)-3-[3'-(3-heptyl-1-methylureido)biphenyl-4-yl]-2-[2-(1-phenylmethanoyl)phenylamino]propionic acid
  参考文献：
  名称：

  [EN] BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS
  [FR] NOUVEAUX COMPOSES BIAROMATIQUES QUI ACTIVENT LES RECEPTEURS TYPE PPAR DOLLAR G(G), ET LEUR UTILISATION DANS LES COMPOSITIONS COSMETIQUES ET PHARMACEUTIQUES

  摘要：

  公开号：

  WO2004046091A3

文献信息

• Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof
  申请人：Clary Laurence

  公开号：US20050256116A1

  公开（公告）日：2005-11-17

  Novel biaromatic compounds having the structural formula (I) below: are formulated into pharmaceutical compositions suited for administration in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively, into cosmetic compositions.

  具有下列结构式（I）的新型双芳香化合物被用于制备适用于人类或兽医药学（在皮肤科、心血管疾病、免疫疾病和/或与脂质代谢相关的疾病领域），或者制备化妆品组合物。
• NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF
  申请人：CLARY LAURENCE

  公开号：US20090062340A1

  公开（公告）日：2009-03-05

  Novel biaromatic compounds having the structural formula (I) below: are formulated into pharmaceutical compositions suited for administration in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively, into cosmetic compositions.

  具有以下结构式（I）的新型双芳香族化合物被制成适合于在人类或兽医学中（在皮肤科以及心血管疾病、免疫疾病和/或与脂质代谢有关的疾病领域中）进行治疗的制药组合物，或者制成化妆品组合物。
• Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof
  申请人：Galderma Research & Development

  公开号：US07452878B2

  公开（公告）日：2008-11-18

  Novel biaromatic compounds having the structural formula (I) below: are formulated into pharmaceutical compositions suited for administration in human or veterinary medicine (in dermatology, and also in the fields of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or, alternatively, into cosmetic compositions.

  具有以下结构式（I）的新型双芳香族化合物制成适用于人类或兽医药学（在皮肤科，以及心血管疾病，免疫疾病和/或与脂质代谢有关的疾病领域），或者制成化妆品组成物。
• S-SUBSTITUTED N-1- (HETERO)ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHYSIOLOGICALLY ACTIVE S-SUBSTITUTED N-1- (HETERO )ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES,A PHARMACEUTICAL COMPOUND AND CURING METHOD
  申请人：Institut Fiziologicheski Aktivnykh Veschestv Rossiyskov Akademii Nauk

  公开号：EP1577294A1

  公开（公告）日：2005-09-21

  The invention relates to s-substituted N-1-[(hetero)aryl]alkyl-N-1-[(hetero)aryl]alkylysothio-carbamides and the physiologically active salts and bases thereof, embodied in the form of racemic mixtures (or stereoisomer mixture) or individual optical isomers. The specific physiological activity of said compounds makes it possible to use them in the form of molecular tools. Said invention also relates to Pharmaceutical compositions, containing said compounds and to a method for preventing and curing various diseases including neurodegenerative diseases as, for example Alzheimer's disease (AD). The pharmacological effect of said compounds is based on the combined cognitive-stimulating and neuroprotective action thereof, which is produced by acting on chemo-controlled calcium channels of neurone membranes, in particular the neurones regulated by glutamate receptors of the central neural system (CNS).

  本发明涉及 s-取代的 N-1-[(杂)芳基]烷基-N-1-[(杂)芳基]烷基硫代氨基甲酸酯及其具有生理活性的盐和碱，以外消旋混合物（或立体异构体混合物）或单个光学异构体的形式体现。上述化合物的特殊生理活性使其有可能以分子工具的形式使用。本发明还涉及含有上述化合物的药物组合物，以及预防和治疗各种疾病（包括神经退行性疾病，如阿尔茨海默病（AD））的方法。所述化合物的药理作用基于其刺激认知和保护神经的综合作用，这种作用是通过作用于神经元膜的化学控制钙通道产生的，特别是受中枢神经系统（CNS）谷氨酸受体调节的神经元。
• ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES
  申请人：Dow AgroSciences LLC

  公开号：EP1286955B1

  公开（公告）日：2005-02-02