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3-(吡啶-4-基)-4,5-二氢-1H-吡唑-5-酮 | 101421-76-5

中文名称
3-(吡啶-4-基)-4,5-二氢-1H-吡唑-5-酮
中文别名
——
英文名称
3-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-5-one
英文别名
3-(4-pyridyl)-4,5-dihydro-1H-pyrazol-5-one;3-pyridin-4-yl-1,4-dihydropyrazol-5-one
3-(吡啶-4-基)-4,5-二氢-1H-吡唑-5-酮化学式
CAS
101421-76-5
化学式
C8H7N3O
mdl
——
分子量
161.163
InChiKey
VUAAYTSNTDGEQZ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.1
  • 重原子数:
    12
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.12
  • 拓扑面积:
    54.4
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

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文献信息

  • Quinazoline derivatives
    申请人:AstraZeneca AB
    公开号:US07262201B1
    公开(公告)日:2007-08-28
    The invention relates to the use of compounds of the formula I: wherein: ring C is a 5-6 membered heterocyclic moiety; Z is —O—, —S—, or —CH2—; R1 is hydrogen, C1-4alkyl, C1-4alkoxymethyl, di(C1-4)alkoxy)methyl, C1-4alkanoyl, trifluoromethyl, cyano, amino, C2-5alkenyl, C2-5alkynyl, carboxy, C3-7cycloalkyl, C3-7-cycloalkylC1-3alkyl, 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; R2 represents hydrogen, hydroxy, halgeno, cyano, nitro, trifluoromethyl, C1-3alkyl, C1-3alkoxy, C1-3alkylsulphanyl, —NR3R4 (wherein R3 and R4, which may be the same or different, each represents hydrogen or C1-3alkyl), or R5X1— (wherein X1 represents a direct bond, —CH2—, or a heteroatom linker group and R5 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 ingredient 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.
    本发明涉及使用以下式子I的化合物: 其中:环C是5-6成员的杂环基;Z是-O-,-S-或-CH2-;R1是氢,C1-4烷基,C1-4烷氧甲基,二(C1-4)烷氧基甲基,C1-4酰基,三氟甲基,氰基,氨基,C2-5烯基,C2-5炔基,羧基,C3-7环烷基,C3-7环烷基C1-3烷基或从苯基,苄基,苯基C2-4烷基和5-6成员的杂环基中选择的可选取代基;n是0到5的整数;m是0到3的整数;R2代表氢,羟基,卤素基,氰基,硝基,三氟甲基,C1-3烷基,C1-3烷氧基,C1-3烷基硫醇基,-NR3R4(其中R3和R4,可以相同也可以不同,分别代表氢或C1-3烷基),或R5X1-(其中X1代表直接键,-CH2-或杂原子连接基,R5是烷基,烯基或炔基链,可选择地被羟基,氨基,硝基,烷基,环烷基,烷氧基烷基等可选取代基选中,也可以是从吡啶酮,苯基和杂环基中选择的可选取代基,该烷基,烯基或炔基链可以具有杂原子连接基,或R5是从吡啶酮,苯基和杂环基中选择的可选取代基,以及其盐,在制备用于在温血动物中产生抗血管生成和/或降低血管通透性效应的药物中使用,以及制备这种化合物的过程,含有式I化合物或其药学上可接受的盐作为活性成分的制药组合物和式I化合物。式I化合物及其药学上可接受的盐抑制VEGF的效应,在治疗包括癌症和类风湿性关节炎在内的许多疾病状态中具有价值。
  • QUINAZOLINE DERIVATIVES
    申请人:AstraZeneca AB
    公开号:EP1119567B1
    公开(公告)日:2005-05-04
  • JARREAU, F. -X.;KOENIG, J. -J.
    作者:JARREAU, F. -X.、KOENIG, J. -J.
    DOI:——
    日期:——
  • 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.
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