N-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)N'-3-methylphenylurea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)N'-3-methylphenylurea
• 英文别名: 1-(3-Methyl-5-oxo-1,2-diphenylpyrazol-4-yl)-3-(3-methylphenyl)urea
• 化学式: C₂₄H₂₂N₄O₂
• 分子量: 398.464
• InChiKey: YRTVKOFFGVWZAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2-二苯肼 在 盐酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 4.25h， 生成 N-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)N'-3-methylphenylurea
  参考文献：
  名称：

  Lattmann, Eric; Sattayasai, Jintana; Boonprakob, Yodchai, Arzneimittel-Forschung/Drug Research, 2005, vol. 55, # 5, p. 251 - 258

  摘要：

  DOI：

文献信息

• [EN] NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES<br/>[FR] NOUVEAUX DERIVES DE L'UREIDO-PYRAZOLONE ET DE L'AMIDO-PYRAZOLONE
  申请人：UNIV ASTON

  公开号：WO2004106306A1

  公开（公告）日：2004-12-09

  The present invention provides compounds of formula (I); wherein each of R1 to R4 is independently selected from hydrogen, a halogen, a substituted or unsubstituted cyclic and heterocyclic moiety, substituted or unsubstituted, linear or branched alkyl, alkyloxy, alkylcarbonyl, alkyloxycarbonyl, alkenyl, alkenyloxy, alkenylcarbonyl, alkenyloxycarbonyl, alkynyl, alkynyloxy, alkynylcarbonyl, alkynyloxycarbonyl, aryl, benzyl, arlyoxy, arylcarbonyl, aryloxycarbonyl and sulphur equivalents of said oxy, carbonyl and oxycarbonyl moieties, and A is NH, or (CH2)n, where n is preferably 0, 1 or 2. The invention also relates to methods for preparing the compounds and their uses as CCK receptor ligands and CCK antagonists.

  本发明提供了化合物的结构公式（I）；其中R1至R4中的每一个均独立地选自氢、卤素、取代或未取代的环状和杂环状基团、取代或未取代的直链或支链烷基、烷氧基、烷基羰基、烷氧羰基、烯基、烯氧基、烯基羰基、烯氧羰基、炔基、炔氧基、炔基羰基、炔氧羰基、芳基、苄基、芳氧基、芳基羰基、芳氧羰基以及上述氧、羰基和氧羰基基团的硫等效物，A为NH，或（CH2）n，其中n优选为0、1或2。该发明还涉及制备这些化合物的方法以及它们作为CCK受体配体和CCK拮抗剂的用途。
• Novel ureido-and amido-pyrazolone derivatives
  申请人：Lattmann Eric

  公开号：US20070185115A1

  公开（公告）日：2007-08-09

  The present invention provides compounds of formula (I); wherein each of R 1 to R 4 is independently selected from hydrogen, a halogen, a substituted or unsubstituted cyclic and heterocyclic moiety, substituted or unsubstituted, linear or branched alkyl, alkyloxy, alkylcarbonyl, alkyloxycarbonyl, alkenyl, alkenyloxy, alkenylcarbonyl, alkenyloxycarbonyl, alkynyl, alkynyloxy, alkynylcarbonyl, alkynyloxycarbonyl, aryl, benzyl, arlyoxy, arylcarbonyl, aryloxycarbonyl and sulphur equivalents of said oxy, carbonyl and oxycarbonyl moieties, and A is NH, or (CH 2 ) n , where n is preferably 0, 1 or 2. The invention also relates to methods for preparing the compounds and their uses as CCK receptor ligands and CCK antagonists.

  本发明提供了式(I)的化合物；其中R1至R4中的每个独立地选择自氢、卤素、取代或未取代的环状和杂环状基团、取代或未取代的线性或支链烷基、烷氧基、烷基羰基、烷氧基羰基、烯基、烯氧基、烯基羰基、烯氧基羰基、炔基、炔氧基、炔基羰基、炔氧基羰基、芳基、苄基、芳氧基、芳基羰基、芳氧基羰基以及所述氧、羰基和氧羰基基团的硫等效物，且A为NH或(CH2)n，其中n最好为0、1或2。本发明还涉及制备该化合物的方法以及它们作为CCK受体配体和CCK拮抗剂的用途。
• NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES
  申请人：Aston University

  公开号：EP1628963A1

  公开（公告）日：2006-03-01
• Lattmann, Eric; Sattayasai, Jintana; Boonprakob, Yodchai, Arzneimittel-Forschung/Drug Research, 2005, vol. 55, # 5, p. 251 - 258
  作者：Lattmann, Eric、Sattayasai, Jintana、Boonprakob, Yodchai、Lattmann, Pornthip、Singh, Harjit

  DOI：——

  日期：——