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4-<(4-chlorophenyl)methyl>-6,7-dihydro-3H-imidazo<1,2-a>purin-9(4H)-one | 68020-42-8

中文名称
——
中文别名
——
英文名称
4-<(4-chlorophenyl)methyl>-6,7-dihydro-3H-imidazo<1,2-a>purin-9(4H)-one
英文别名
4-(4-chloro-benzyl)-1(3),4,6,7-tetrahydro-imidazo[1,2-a]purin-9-one;4-[(4-chlorophenyl)methyl]-6,7-dihydro-3H-imidazo[1,2-a]-purin-9(4H)-one;4-[(4-chlorophenyl)methyl]-6,7-dihydro-1H-imidazo[1,2-a]purin-9-one
4-<(4-chlorophenyl)methyl>-6,7-dihydro-3H-imidazo<1,2-a>purin-9(4H)-one化学式
CAS
68020-42-8
化学式
C14H12ClN5O
mdl
——
分子量
301.735
InChiKey
FEQQAUGJYYIJOZ-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):
    1.4
  • 重原子数:
    21
  • 可旋转键数:
    2
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.21
  • 拓扑面积:
    64.6
  • 氢给体数:
    1
  • 氢受体数:
    3

SDS

SDS:94a65b5f6289cbe20f20dc33de472fa9
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上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones
    摘要:
    The synthesis of a series of substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones is described. Several members of the series exhibit enhanced antiallergic and bronchodilator activity and reduced side effects as compared to theophylline. Structure-activity relationships and metabolic considerations are discussed for the series. Analogues substituted with a 4-(4-chlorobenzyl) moiety, such as 33 and 40, shown an optimal balance of antiallergic and bronchodilator activity and are of particular interest. Compound 33 is significantly more potent than theophylline against both metacholine- and antigen-induced bronchospasms, does not affect spontaneous motor activity, and shows minimal cardiovascular effects in the rat.
    DOI:
    10.1021/jm00185a008
  • 作为产物:
    描述:
    7-amino-8-<(4-chlorophenyl)methyl>-6-(formylamino)-2,3-dihydroimidazo<1,2-a>pyrimidin-5(8H)-one乙酸酐原甲酸三乙酯 作用下, 反应 5.0h, 以66%的产率得到4-<(4-chlorophenyl)methyl>-6,7-dihydro-3H-imidazo<1,2-a>purin-9(4H)-one
    参考文献:
    名称:
    Substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones
    摘要:
    The synthesis of a series of substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones is described. Several members of the series exhibit enhanced antiallergic and bronchodilator activity and reduced side effects as compared to theophylline. Structure-activity relationships and metabolic considerations are discussed for the series. Analogues substituted with a 4-(4-chlorobenzyl) moiety, such as 33 and 40, shown an optimal balance of antiallergic and bronchodilator activity and are of particular interest. Compound 33 is significantly more potent than theophylline against both metacholine- and antigen-induced bronchospasms, does not affect spontaneous motor activity, and shows minimal cardiovascular effects in the rat.
    DOI:
    10.1021/jm00185a008
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文献信息

  • Diazaheterocyclopurines used as anti-broncho spasmatics and vasodilators
    申请人:Mead Johnson & Company
    公开号:US04489078A1
    公开(公告)日:1984-12-18
    Imidazopyrimidinones and other diazaheterocyclopyrimidinones having an additional fused imidazole or triazole ring have utility as bronchodilators, mediator release inhibitors, phosphodiesterase inhibitors, and peripheral vasodilators. They are orally active and useful in the prophylaxis and treatment of asthma. A preferred compound is 4-[(4-chlorophenyl)methyl]-6,7-dihydro-3H-imidazo[1,2-a]purin-9(4H)-one.
    咪唑嘧啶酮和其他含有额外融合咪唑或三唑环的二氮杂杂环嘧啶酮具有支气管扩张剂、介质释放抑制剂、磷酸二酯酶抑制剂和外周血管扩张剂的作用。它们口服有效,可用于哮喘的预防和治疗。一种优选化合物是4-[(4-氯苯基)甲基]-6,7-二氢-3H-咪唑[1,2-a]嘌呤-9(4H)-酮。
  • 6,7-dihydro-3H-imidazo[1,2-a]-purine-9(4H)-ones
    申请人:Mead Johnson & Company
    公开号:US04642345A1
    公开(公告)日:1987-02-10
    Imidazopyrimidinones and other diazaheterocyclopyrimidinones having an additional fused imidazole or triazole ring have utility as bronchodilators, mediator release inhibitors, phosphodiesterase inhibitors, and peripheral vasodilators. They are orally active and useful in the prophylaxis and treatment of asthma. A preferred compound is 4-[(4-chlorophenyl)methyl]-6,7-dihydro-3H-imidazo[1,2-a]-purin-9(4H)-one.
    咪唑嘧啶酮和其他含有额外融合咪唑或三唑环的二氮杂杂环嘧啶酮具有支气管扩张剂、介质释放抑制剂、磷酸二酯酶抑制剂和周围血管扩张剂的用途。它们口服有效,可用于哮喘的预防和治疗。首选化合物是4-[(4-氯苯基)甲基]-6,7-二氢-3H-咪唑[1,2-a]-嘌呤-9(4H)-酮。
  • TEMPLE D. L. JR.; YEVICH J. P.; GATT J. D.; OWENS D.; HANNING C.; COVINGT+, J. MED. CHEM., 1980, 23, NO 11, 1188-1198
    作者:TEMPLE D. L. JR.、 YEVICH J. P.、 GATT J. D.、 OWENS D.、 HANNING C.、 COVINGT+
    DOI:——
    日期:——
  • DAVIS, L. TEMPLE,, JR.
    作者:DAVIS, L. TEMPLE,, JR.
    DOI:——
    日期:——
  • TEMPLE, D. L. ,, JR.
    作者:TEMPLE, D. L. ,, JR.
    DOI:——
    日期:——
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