3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one | 50931-94-7

• 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-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one
• 英文别名: 3-(3-Nitrophenyl)-1,4-dihydropyrazol-5-one
• CAS: 50931-94-7
• 化学式: C₉H₇N₃O₃
• 分子量: 205.173
• InChiKey: FWPHGSRKKZMDJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• QUINAZOLINE DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1119567A1

  公开（公告）日：2001-08-01
• US7262201B1
  申请人：——

  公开号：US7262201B1

  公开（公告）日：2007-08-28
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ZENECA LTD

  公开号：WO2000021955A1

  公开（公告）日：2000-04-20

  The invention relates to the use of compounds of formula (I), wherein: ring C is a 5-6-membered heterocyclic moiety; Z is -O-, -NH-, -S- or -CH2-; R1 is hydrogen, C¿1-4?alkyl, C1-4alkoxymethyl, di(C1-4alkoxy)methyl, C1-4alkanoyl, trifluoromethyl, cyano, amino, C2-5alkenyl, C2-5alkynyl, carboxy, C3-7cycloalkyl,C3-7cycloalkyl C1-3alkyl, or an optionally substituted group selected from phenyl, benzyl, phenylC2-4alkyl and a 5-6-membered heterocyclic group; n is an integer from 0 to 5; m is an integer from 0 to 3; R?2¿ represents hydrogen, hydroxy, halogeno, cyano, nitro, trifluoromethyl, C¿1-3?alkyl, C1-3alkoxy, C1-3alkylsulphanyl, -NR?3R4¿ (wherein R?3 and R4¿, which may be the same or different, each represents hydrogen or C¿1-3?alkyl), or R?5X1¿- (wherein X1 represents a direct bond, -CH¿2?-, or a heteroatom linker group and R?5¿ is an alkyl, alkenyl or alkynyl chain optionally substituted by for example hydroxy, amino, nitro, alkyl, cycloalkyl, alkoxyalkyl, or an optionally substituted group selected from pyridone, phenyl and a heterocyclic ring, which alkyl, alkenyl or alkynyl chain may have a heteroatom linker group, or R5 is an optionally substituted group selected from pyridone, phenyl and a heterocyclic ring, and salts thereof, in the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals, processes for the preparation of such compounds, pharmaceutical compositions containing a compound of formula (I) or a pharmaceutically acceptable salt thereof as active ingredients and compounds of formula (I). The compounds of formula (I) and the pharmaceutically acceptable salts thereof inhibit the effects of VEGF, a property of value in the treatment of a number of disease states including cancer and rheumatoid arthritis.