N-(4-氟-2-甲氧基-5-硝基苯基)-4-(1-甲基-1H-吲哚-3-基)-2-嘧啶胺 | 1421372-94-2
中文名称
N-(4-氟-2-甲氧基-5-硝基苯基)-4-(1-甲基-1H-吲哚-3-基)-2-嘧啶胺
中文别名
AZD9291中间体2；N-(4-氟-2-甲氧基-5-硝基苯基)-4-(1-甲基-1H-吲哚-3-基)-2-嘧啶胺。
英文名称
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine
英文别名
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine；N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)-2-pyrimidinamine
CAS
1421372-94-2
化学式
C20H16FN5O3
mdl
——
分子量
393.377
InChiKey
SZTYQQYYIMVETL-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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熔点：>250°C (dec.)
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沸点：639.3±65.0 °C(Predicted)
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密度：1.41±0.1 g/cm3(Predicted)
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溶解度：DMSO（稍微加热）
计算性质
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辛醇/水分配系数(LogP)：3.7
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重原子数：29
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可旋转键数：4
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环数：4.0
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sp3杂化的碳原子比例：0.1
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拓扑面积：97.8
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氢给体数：1
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氢受体数：7
安全信息
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危险性防范说明：P261,P305+P351+P338
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危险性描述：H302,H315,H319,H335
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储存条件：存储条件：2-8°C，干燥、密封并避免光照。
SDS
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 3-(2-氯嘧啶-4-基)-1-甲基吲哚 3-(2-chloropyrimidin-4-yl)-1-methyl-1H-indole 1032452-86-0 C13H10ClN3 243.695 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 AZD9291中间体3 N1-(2-(dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine 1421372-67-9 C25H29N7O3 475.55 —— N-(2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine 1421372-76-0 C25H27N7O3 473.534 —— N-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine 1421372-82-8 C25H27N7O3 473.534 —— tert-butyl (2-((5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)-2-nitrophenyl)(methyl)amino)ethyl)(methyl)carbamate 1421373-35-4 C29H35N7O5 561.641 AZD9291中间体1 N1-(2-dimethylaminoethyl)-5-methoxy-N1-methyl-N4-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine 1421372-66-8 C25H31N7O 445.567 —— N1-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-4-morpholinyl-6-methoxybenzene-1,3-diamine —— C24H26N6O2 430.509 —— 6-methoxy-N1-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-4-(4-methylpiperazin-1-yl)benzene-1,3-diamine 1421372-75-9 C25H29N7O 443.552 —— 4-(3-dimethylaminoazetidin-1-yl)-6-methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene- 1,3-diamine 1421372-81-7 C25H29N7O 443.552 —— N-[4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine 1421372-70-4 C26H29N7O3 487.561 —— N-{4-[(3S)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1-methylindol-3-yl)pyrimidin-2-amine 1421373-13-8 C26H29N7O3 487.561 —— tert-butyl N-[2-[[2-amino-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl](methyl)amino]ethyl]-N-methylcarbamate 1421373-34-3 C29H37N7O3 531.658 —— AZ7550 1421373-99-0 C27H31N7O2 485.589 N-[2-[[2-(二甲基氨基)乙基]甲基氨基]-4-甲氧基-5-[[4-(1-甲基-1H-吲哚-3-基)-2-嘧啶基]氨基]苯基]-2-丙烯酰胺 osimertinib 1421373-65-0 C28H33N7O2 499.616 —— N-[2-methoxy-4-(8-methyl-2,8-diazaspiro[3.4]octan-2-yl)-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine 1421373-11-6 C27H29N7O3 499.572 —— EB104 1421373-71-8 C28H31N7O2 497.6 —— N-[2-[3-(dimethylamino)azetidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide 1421373-74-1 C28H31N7O2 497.6 —— 4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-6-methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine 1421372-69-1 C26H31N7O 457.578 —— 4-[(3S)-3-dimethylaminopyrrolidin-1-yl]-6-methoxy-N'-{4-(1-methylindol-3-yl)pyrimidin-2-yl}benzene-1,3-diamine 1421373-12-7 C26H31N7O 457.578 3-氯-N-[2-[[2-(二甲基氨基)乙基]甲基氨基]-4-甲氧基-5-[[4-(1-甲基-1H-吲哚-3-基)-2-嘧啶基]氨基]苯基]丙酰胺 3-chloro-N-[2-[2-dimethylaminoethyl(methyl)amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide 1421373-36-5 C28H34ClN7O2 536.077 —— N4-[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-N1-(2-dimethylaminoethyl)-5-methoxy-N1-methylbenzene-1,2,4-triamine 1421372-63-5 C25H30ClN7O 480.012 —— tert-butyl (2-((2-acrylamido-5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)(methyl)amino)ethyl)(methyl)carbamate 1421373-33-2 C32H39N7O4 585.706 —— N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine 1421372-89-5 C27H29N7O3 499.572 —— 4-methoxy-6-(5-methyl-2,5-diazaspiro[3,4]oct-2-yl)-N'-{4-(1-methylindole-3 -yl)pyrimidin-2-yl}benzene-1,3-diamine 1421373-09-2 C27H31N7O 469.589 —— N-(2-{(3S)-3-Dimethylaminopyrrolidin-1-yl}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide 1421373-88-7 C29H33N7O2 511.627 —— N-(2-{(3R)-3-Dimethylaminopyrrolidin-1-yl}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide 1421373-68-3 C29H33N7O2 511.627 —— N-(4-Methoxy-2-{8-methyl-2,8-diazaspiro[3.4]octan-2-yl}-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide 1421373-87-6 C30H33N7O2 523.638 —— 4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-6-methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,3-diamine 1421372-88-4 C27H31N7O 469.589 —— N-(2-{(3aR,6aR)-5-Methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl}-4-methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide 1421373-79-6 C30H33N7O2 523.638 - 1
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反应信息
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作为反应物：描述：N-(4-氟-2-甲氧基-5-硝基苯基)-4-(1-甲基-1H-吲哚-3-基)-2-嘧啶胺 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基