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1,4,6-Trimethylpyrrolo[3,4-d]pyridazine

中文名称
——
中文别名
——
英文名称
1,4,6-Trimethylpyrrolo[3,4-d]pyridazine
英文别名
1,4,6-trimethylpyrrolo[3,4-d]pyridazine
1,4,6-Trimethylpyrrolo[3,4-d]pyridazine化学式
CAS
——
化学式
C9H11N3
mdl
——
分子量
161.2
InChiKey
MMYYQMFEGSAHPM-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):
    0.6
  • 重原子数:
    12
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    30.7
  • 氢给体数:
    0
  • 氢受体数:
    2

文献信息

  • [EN] HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME INHIBITEURS DE LA VOIE DE SIGNALISATION HEDGEHOG
    申请人:REDX PHARMA LTD
    公开号:WO2014191737A1
    公开(公告)日:2014-12-04
    This invention relates to novel compounds of formula (I). The compounds of the invention are hedgehog pathway antagonists. Specifically, the compounds of the invention are useful as Smoothened (SMO) inhibitors. The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of the Hedgehog pathway and SMO, for example cancer.
    这项发明涉及公式(I)的新化合物。该发明的化合物是刺猬途径拮抗剂。具体来说,该发明的化合物可用作平滑蛋白(SMO)抑制剂。该发明还考虑了利用这些化合物治疗通过抑制刺猬途径和SMO可治疗的疾病,例如癌症。
  • HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS
    申请人:REDX PHARMA PLC
    公开号:US20160113928A1
    公开(公告)日:2016-04-28
    This invention relates to novel compounds of formula (I). The compounds of the invention are hedgehog pathway antagonists. Specifically, the compounds of the invention are useful as Smoothened (SMO) inhibitors. The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of the Hedgehog pathway and SMO, for example cancer.
    本发明涉及一种新的化合物,其化学式为(I)。该发明的化合物是刺猬信号通路拮抗剂。具体而言,该发明的化合物可用作平滑蛋白(SMO)抑制剂。本发明还考虑使用这些化合物来治疗通过抑制刺猬通路和SMO可治疗的疾病,例如癌症。
  • US9579319B2
    申请人:——
    公开号:US9579319B2
    公开(公告)日:2017-02-28
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同类化合物

5,6,7-三甲基-2,6-二氢-1H-吡咯并[3,4-d]吡嗪-1-酮 1-氯-5,6,7-三甲基-6H-吡咯并[3,4-d]吡嗪盐酸盐 4-(5,7-dimethyl-1-oxo-2-phenyl-1H-pyrrolo[3,4-d]pyridazin-6(2H)-yl)butanoic acid 2,6-dihydro-2-methyl-4-(2-methylpropyl)-6-phenylmethyl-1H-pyrrolo[3,4-d]pyridazin-1-one 1-chloro-4-ethoxy-5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 1,4-dichloro-5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 1,4-dichloro-6-isopropyl-6H-pyrrolo[3,4-d]pyridazine ethyl 4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-7-methyl-6H-pyrrolo[3,4-d]pyridazine-5-carboxylate 1,2-dihydro-5,7-dimethyl-6H-pyrrolo<3,4-d>pyridazine-1-one 1,2-dihydro-2,5,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine-1-one 1-ethoxy-5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 2,8-dichloro-6-methylpyrrolo<1,2-b:3,4-d'>dipyridazin-5(6H)-one 5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine 1,4,5,7-tetramethyl-pyrrolo[3,4-d]pyridazin-6-ylamine 5,7-di-2-thienyl-2,3-dihydro-1H-pyrrolo[3,4-d]pyridazine-1,4(6H)-dione 2,3-dihydro-6H-pyrrolo[3,4-d]pyridazine-1,4-dione 5,7-dimethyl-6H-pyrrolo<3,4-d>pyridazine 1,2,3,4-tetrahydro-5,7-dimethyl-6H-pyrrolo<3,4-d>pyridazine-1,4-dione 5,10-Dihydro-2,3-dimethoxypyridazino<4',5':3,4>pyrrolo<2,1-a>isochinolin-9(6H)-on 6-Butyl-4-hydroxy-2,5,7-trimethyl-2,6-dihydro-pyrrolo[3,4-d]pyridazin-1-one 4-{5,7-Dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}-N-(propan-2-YL)butanamide 2-{6-[(4-Fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-D]pyridazin-2-YL}-N-(4-methylcyclohexyl)acetamide N-[3-(Azepan-1-YL)propyl]-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-D]pyridazin-2-YL}acetamide N-[2-(Cyclohex-1-EN-1-YL)ethyl]-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}butanamide (6E)-2-methoxy-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 8-chloro-6-methyl-2-(4-methylpiperidin-1-yl)pyrrolo[1,2-b:3,4-d']dipyridazin-5(6H)-one 6-(5-Ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine 4,5-dimethoxy-N-phenylmethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaen-13-amine;hydrochloride 6-[4-(4-Ethylpiperazin-1-YL)-4-oxobutyl]-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-1-one N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide 6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one 4,5-dimethoxy-N-phenylmethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaen-13-amine 4-(phenylhydrazinylidene)-2-[(Z)-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]cyclohexa-2,5-dien-1-one 4-(phenylhydrazinylidene)-2-[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]cyclohexa-2,5-dien-1-one 2,4-dibromo-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 4-chloro-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 2-methoxy-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 4-bromo-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 2,4-dichloro-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 2-prop-2-enyl-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 6-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one 2-{5,7-Dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}-N-[(2-ethoxyphenyl)methyl]acetamide 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylpropanamide 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)-N-methylacetamide 4-{5,7-Dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}-N-(2-phenylethyl)butanamide 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-propan-2-ylacetamide N,N-Diethyl-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-D]pyridazin-2-YL}acetamide