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4-[fluoro(phenyl)methyl]-3,4,4a,8a-tetrahydro-1H-pyrano[3,2-d]pyrimidine-2,6-dione

中文名称
——
中文别名
——
英文名称
4-[fluoro(phenyl)methyl]-3,4,4a,8a-tetrahydro-1H-pyrano[3,2-d]pyrimidine-2,6-dione
英文别名
——
4-[fluoro(phenyl)methyl]-3,4,4a,8a-tetrahydro-1H-pyrano[3,2-d]pyrimidine-2,6-dione化学式
CAS
——
化学式
C14H13FN2O3
mdl
——
分子量
276.26
InChiKey
NYJFJVSAHWPDQM-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):
    1.2
  • 重原子数:
    20
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.29
  • 拓扑面积:
    67.4
  • 氢给体数:
    2
  • 氢受体数:
    4

文献信息

  • [EN] HETEROCYCLO COMPOUNDS AS APOPTOTIC INDUCERS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS COMME INDUCTEURS D'APOPTOSE ET LEURS UTILISATIONS
    申请人:KUNMING INST BOTANY CN ACAD
    公开号:WO2014117741A1
    公开(公告)日:2014-08-07
    Disclosed are heterocyclo compounds that have a formula represented by the following: and wherein X, R1, R2, R3, R4, R5, R6, and n are as described herein. The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of cancer conditions in mammals including humans, including by way of non-limiting example, prostate, colon, bladder, melanoma, liver, breast, cervical, ovarian, esophagi, glialblastoma, pancreatic and lung cancer.
    本公开揭示了具有以下表示的化学式的杂环化合物:其中X,R1,R2,R3,R4,R5,R6和n如本文所述。这些化合物可以制备为药物组合物,并可用于预防和治疗包括人类在内的哺乳动物的多种癌症病况,例如前列腺癌、结肠癌、膀胱癌、黑色素瘤、肝癌、乳腺癌、宫颈癌、卵巢癌、食管癌、神经胶质母细胞瘤、胰腺癌和肺癌等。
  • HETEROCYCLO COMPOUNDS AS APOPTOTIC INDUCERS AND USES THEREOF
    申请人:KUNMING INSTITUTE OF BOTANY, CHINESE ACADEMYOF SCIENCES
    公开号:US20150361062A1
    公开(公告)日:2015-12-17
    Disclosed are heterocyclo compounds that have a formula represented by the following: and wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and n are as described herein. The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of cancer conditions in mammals including humans, including by way of non-limiting example, prostate, colon, bladder, melanoma, liver, breast, cervical, ovarian, esophagi, glialblastoma, pancreatic and lung cancer.
  • US9682947B2
    申请人:——
    公开号:US9682947B2
    公开(公告)日:2017-06-20
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同类化合物

叔-丁基2-(甲磺酰)-5,7-二氢螺[吡喃并[4,3-D]嘧啶并-8,3-吡咯烷]-1-甲酸基酯 乙基7'-氨基-6-氟-2,2',4'-三羰基-1,1',2,2',3',4'-六氢螺[吲哚-3,5'-吡喃并[2,3-d]嘧啶]-6'-羧酸酯 7H-吡喃并[2,3-d]嘧啶-7-酮 7H-吡喃并[2,3-d]嘧啶 7,8-二氢-5H-吡喃并[4,3-D]嘧啶-2-胺 5H-吡喃并[4,3-d]嘧啶 5H-吡喃并[2,3-d]嘧啶 2H-吡喃并[2,3-d]嘧啶-6-甲腈,7-氨基-1,3,4,5-四氢-5-(4-甲氧苯基)-2,4-二羰基- 2,4-二氯-7,8-二氢-5H-吡喃[4,3-d]嘧啶 1H-吡喃并[3,4-d]嘧啶 1H-吡喃并[3,2-d]嘧啶 (5S,7R,8S)-2-methylsulfanyl-5,8-dihydro-7-allyloxymethyl-5-methoxy-pyrano[3,4-d]-pyrimidin-8-ol 5-ethyl-2-[(Z)-1-thiophen-3-ylpentylideneamino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione 5-ethyl-2-[[1-(3-methylbutanoyl)piperidin-4-ylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione 5-butyl-2-[(E)-1-(4-cyclohexylpiperazin-1-yl)butylideneamino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione 2,3,3a,9-tetrahydro-5-iodo-2,3,3-trimethylimidazo[5,1-b][1,3]benzoxazin-1-one 2,4-dimethyl-9-methoxy-4,12b-dihydro-1H,7H-chromeno[4',3'-4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione 5-methyl-3-{3-[(R)-2-oxo-3-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)-oxazolidin-5-yl]-propyl}-1H-quinazoline-2,4-dione 7-amino-2-(benzothiazol-2-ylmethyl)-9-phenylthiazolo[4',5':6,5]pyrano[2,3-d]pyrimidine-8(7H)-one 2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine 8-amino-2-(methylthio)-5-oxo-6-(pyridin-4-yl)-5,6-dihydro-4H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridine-7-carbonitrile 5-(4-chlorophenyl)-1,3,8,8-tetramethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidine-2,4,6-trione ethyl 7'-amino-2,4'-dioxo-2'-thioxo-1,1',2,2',3',4'-hexahydrospiroindole-3,5'-pyrano[2,3-d]pyrimidine-6'-carboxylate 8-amino-2-(methylthio)-5-oxo-6-(pyridin-3-yl)-5,6-dihydro-4H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridine-7-carbonitrile 7-Amino-4-oxo-5-phenyl-2-thioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester 3-(1H-benzoimidazol-2-yl)-3-butyl-5-methyl-dihydro-furan-2-one 3-(1H-benzoimidazol-2-yl)-3-(2-diethylamino-ethyl)-5-methyl-dihydro-furan-2-one 1-{4-[(1R,9S)-3-((S)-3-methyl-morpholin-4-yl)-12-oxa-4,6-diaza-tricyclo[7.2.1.0-2,7]dodeca-2(7),3,5-trien-5-yl]-phenyl}-3-oxetan-3-yl-urea (S)-6-(4-(4-(3-ethylmorpholino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenylamino)pyridin-2(1H)-one 3-(1H-benzoimidazol-2-yl)-5-methyl-3-(3-methyl-butyl)-dihydro-furan-2-one 13-(3,4-dimethoxyphenyl)-5,5-dimethyl-2-thioxo-2,5,6,8,9,13-hexahydro-4H-pyrimido[5',4':6,7][1,8]naphthyridino[4,3,2-de]quinazoline-10,12(3a1H,11H)-dione (S)-3-allyl-8-ethyl-4,7-dioxo-2-(phenylcarbamoyl)-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-8-yl acetate 8-{[(2-bromo-3-methylphenyl)oxy]methyl}-1,3-dimethyl-2,3,4,6-tetrahydro-1H-pyrano[3,2-d]pyrimidine-2,4-dione 9-ethyl-6a-methyl-2-phenyl-8,9-dihydro-oxazolo[2,3-b]pyrimido[4,5-d][1,3]oxazin-5-one (S)-1-cyclobutyl-3-(4-(4-(3-methylmorpholino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenyl)urea (S)-2-(4-(4-(3-ethylmorpholino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenylamino)pyrimidin-4(3H)-one (6aRS,10aRS)-4,6,6a,7,8,9,10,10a-octahydro-2,4,6,6-tetramethyl-1H-<2>benzopyrano<3,4-d>pyrimidine-1,3(2H)-dione 5-ethyl-2-[(E)-1-thiophen-3-ylpentylideneamino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione N3-(methyl 4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-5-fluorouracil 1-{4-[(1S,9R)-3-((S)-3-methyl-morpholin-4-yl)-12-oxa-4,6-diaza-tricyclo[7.2.1.0-2,7]dodeca-2(7),3,5-trien-5-yl]-phenyl}-3-oxetan-3-yl-urea 4,5-dimethyl-12-(4-methoxyphenyl)-2-thioxo-2,4a,7,8,9,10,11,12-octahydrodipyrimido[4,5-b;4',5'-f] [1,8]naphthyridine-9,11-dione 2-[4-[2-hydroxyethyl(methyl)amino]-2-methyl-7-oxopyrimido[5,4-b][1,4]oxazin-8-yl]acetonitrile 5-ethyl-2-[(Z)-1-thiophen-2-ylethylideneamino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione