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喹啉
水杨醛
二溴甲烷
谷胱甘肽
L-乳酸
苯巴比妥
辣椒碱
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2-(4-(8-溴-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈 | 915019-53-3

分子结构分类

有机化合物 - 有机杂环化合物 - 喹啉及其衍生物

中文名称

2-(4-(8-溴-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈

中文别名

2-(4-(8-溴-2-氧-2,3-二氢-1氢-咪唑[4,5-c]喹啉-1基)苯基)-2-甲基-丙腈；2-[4-(8-溴-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基]-2-甲基丙腈

英文名称

2-[4-(8-bromo-2-oxo-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-2-methyl-propionitrile

英文别名

2-(4-(8-Bromo-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile；2-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile

2-(4-(8-溴-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈化学式

CAS

915019-53-3

化学式

C₂₀H₁₅BrN₄O

mdl

——

分子量

407.269

InChiKey

VDJPWUIERGLWRZ-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.508±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.8
重原子数：

26
可旋转键数：

2
环数：

4.0
sp3杂化的碳原子比例：

0.15
拓扑面积：

69
氢给体数：

1
氢受体数：

3

安全信息

储存条件：

室温和干燥环境

SDS

SDS：6bd3061f498bc0175e497d2aa79bbaf7

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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
2-(4-(8-溴-3-甲基-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈	2-[4-(8-bromo-3-methyl-2-oxo-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-2-methyl-propionitrile	915019-50-0	C₂₁H₁₇BrN₄O	421.296
——	2-methyl-2-(4-(3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile	1610680-69-7	C₂₁H₁₈N₄O	342.4
——	2-methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile	——	C₂₆H₂₁N₅O	419.486
——	2-(4-(8-bromo-3-(methylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-56-3	C₂₁H₁₇BrN₄O₃S	485.361
——	8-bromo-N-(2-chloroethyl)-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carbothioamide	1260167-99-4	C₂₃H₁₉BrClN₅OS	528.86
——	N-allyl-8-bromo-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carboxamide	1260167-89-2	C₂₄H₂₀BrN₅O₂	490.359
——	(E)-2-(4-(8-bromo-3-but-2-enoyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-72-3	C₂₄H₁₉BrN₄O₂	475.344
——	N-benzyl-8-bromo-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carboxamide	1260167-82-5	C₂₈H₂₂BrN₅O₂	540.419
——	8-bromo-N-(2-chloroethyl)-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carboxamide	1260167-87-0	C₂₃H₁₉BrClN₅O₂	512.793
——	(E)-2-(4-(8-bromo-3-cinnamoyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-76-7	C₂₉H₂₁BrN₄O₂	537.415
——	2-(4-(8-bromo-3-(morpholine-4-carbonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-70-1	C₂₅H₂₂BrN₅O₃	520.385
——	2-(4-(8-bromo-2-oxo-3-(2-propylpentanoyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-74-5	C₂₈H₂₉BrN₄O₂	533.468
——	2-(4-(3-benzoyl-8-bromo-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-78-9	C₂₇H₁₉BrN₄O₂	511.377
——	8-bromo-1-(4-(2-cyanopropan-2-yl)phenyl)-N-(4-methoxyphenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carboxamide	1260167-80-3	C₂₈H₂₂BrN₅O₃	556.418
——	2-methyl-2-{4-[3-methyl-2-oxo-8-{6-[6-(3-fluorophenyl)pyridin-3-yl]pyridin-3-yl}-1Η-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl}propionitrile	——	C₃₇H₂₇FN₆O	590.659
——	8-Bromo-N-(2-bromophenyl)-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinoline-3(2H)-carboxamide	1260167-85-8	C₂₇H₁₉Br₂N₅O₂	605.288
——	2-(4-(8-bromo-2-oxo-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-34-7	C₂₆H₁₉BrN₄O₃S	547.432
——	2-(4-(8-bromo-2-oxo-3-tosyl-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-36-9	C₂₇H₂₁BrN₄O₃S	561.459
——	2-(4-(8-(2-aminobenzo[d]oxazol-5-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitril	1395145-15-9	C₂₈H₂₂N₆O₂	474.522
——	2-(4-(8-bromo-3-(3-bromophenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-50-7	C₂₆H₁₈Br₂N₄O₃S	626.328
——	2-(4-(3-(4-acetylphenylsulfonyl)-8-bromo-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-44-9	C₂₈H₂₁BrN₄O₄S	589.469
——	2-(4-(8-bromo-2-oxo-3-(m-tolylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-25-6	C₂₇H₂₁BrN₄O₃S	561.459
——	2-(4-(8-bromo-3-(3-fluorophenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-40-5	C₂₆H₁₈BrFN₄O₃S	565.422
——	2-(4-(8-bromo-3-(3,5-dimethylphenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-32-5	C₂₈H₂₃BrN₄O₃S	575.486
——	2-(4-(8-bromo-3-(3,5-difluorophenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-52-9	C₂₆H₁₇BrF₂N₄O₃S	583.413
——	2-(4-(8-bromo-2-oxo-3-(4-(trifluoromethoxy)phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-21-2	C₂₇H₁₈BrF₃N₄O₄S	631.43
——	2-(4-(8-bromo-3-(3-fluoro-4-methylphenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-30-3	C₂₇H₂₀BrFN₄O₃S	579.449
——	2-(4-(8-bromo-3-(3-methoxyphenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-48-3	C₂₇H₂₁BrN₄O₄S	577.458
——	2-(4-(8-bromo-2-oxo-3-(3-(trifluoromethyl)phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-46-1	C₂₇H₁₈BrF₃N₄O₃S	615.43
——	2-(8-bromo-1-(4-(2-cyanopropan-2-yl)phenyl)-2-oxo-1H-imidazo[4,5-c]quinolin-3 (2H)-ylsulfonyl)benzonitrile	1260167-23-4	C₂₇H₁₈BrN₅O₃S	572.442
——	2-(4-(8-bromo-3-(2,4-difluorophenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-54-1	C₂₆H₁₇BrF₂N₄O₃S	583.413
——	2-(4-(8-bromo-2-oxo-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-38-1	C₂₄H₁₇BrN₄O₃S₂	553.46
——	2-(4-(3-(4-acetylphenylsulfonyl)-8-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-68-7	C₂₉H₂₄N₄O₄S	524.6
——	2-methyl-2-(4-(8-methyl-2-oxo-3-(m-tolylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile	1260167-62-1	C₂₈H₂₄N₄O₃S	496.59
——	2-(4-(3-(3-fluorophenylsulfonyl)-8-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-64-3	C₂₇H₂₁FN₄O₃S	500.553
——	2-(4-(8-bromo-2-oxo-3-(quinolin-8-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-42-7	C₂₉H₂₀BrN₅O₃S	598.479
——	2-(4-(8-Bromo-3-(2-methyl-5-nitrophenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-27-8	C₂₇H₂₀BrN₅O₅S	606.456
——	2-(4-(8-chloro-2-oxo-3-(m-tolylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile	1260167-58-5	C₂₇H₂₁ClN₄O₃S	517.008
——	2-methyl-2-(4-(8-methyl-2-oxo-3-(quinolin-8-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile	1260167-66-5	C₃₀H₂₃N₅O₃S	533.61
——	2-methyl-2-(4-(8-methyl-3-(2-methyl-5-nitrophenylsulfonyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile	1260168-07-7	C₂₈H₂₃N₅O₅S	541.587

反应信息

作为反应物：

描述：

2-(4-(8-溴-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈生成 2-(4-(8-溴-3-甲基-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈

参考文献：

名称：

Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile

摘要：

本发明涉及2-甲基-2-[4-(3-甲基-2-氧代-8-喹啉-3-基-2,3-二氢咪唑[4,5-c]喹啉-1-基)-苯基]-丙腈的特定晶体形式、其水合物和溶剂化合物、其盐及其盐的水合物和溶剂化合物，以及其制备的某些过程，含有这些晶体形式的制药组合物，并且它们在诊断方法中的使用或更好地用于治疗恒温动物，特别是人类，以及它们用作中间体或用于制备用于诊断方法或更好地用于治疗恒温动物，特别是人类的制药制剂。

公开号：

US08436177B2
作为产物：

描述：

5-bromo-2-((2-nitrovinyl)amino)benzoic acid 在甲醇、氢气、 potassium acetate 、乙酸酐、溶剂黄146 、三乙胺、三氯氧磷作用下，以四氢呋喃、二氯甲烷为溶剂，反应 29.75h，生成 2-(4-(8-溴-2-氧代-2,3-二氢咪唑并[4,5-C]喹啉-1-基)苯基)-2-甲基丙腈

参考文献：

名称：

[EN] COMBINATION OF KINASE INHIBITORS AND USES THEREOF
[FR] COMBINAISON D'INHIBITEURS DE KINASE ET SES UTILISATIONS

摘要：

本发明提供了一种治疗与受体内PI3-激酶α和/或mTOR相关的疾病状况的方法。另一方面，该发明提供了一种治疗与受体内PI3-激酶α和/或mTOR相关的疾病状况的方法。在另一个方面，提出了一种抑制细胞内Akt（S473）和Akt（T308）磷酸化的方法。本发明还提供了一种有效治疗与受体内PI3-激酶α和/或mTOR相关的疾病状况的药物套装。

公开号：

WO2014151147A1

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文献信息

咪唑酮类衍生物、其药物组合物和用途

申请人：北京富龙康泰生物技术有限公司

公开号：CN104411706B

公开（公告）日：2016-11-16

本申请涉及咪唑酮类化合物、其药学可接受的盐、溶剂化物、多晶形物或前药，还涉及包含上述物质的药物组合物和用于预防和治疗蛋白激酶相关性疾病如癌症、代谢疾病、心血管疾病等的用途。
COMBINATION OF KINASE INHIBITORS AND USES THEREOF

申请人：INTELLIKINE, LLC

公开号：US20150030588A1

公开（公告）日：2015-01-29

The present invention provides for a method for treating a disease condition associated with PI3-kinase a and/or a receptor tyrosine kinase (RTK) in a subject. In another aspect, the invention provides for a method for treating a disease condition associated with PI3-kinase α and/or an RTK in a subject. In yet another aspect, a method of inhibiting phosphorylation of Akt (S473) in a cell is set forth.

本发明提供了一种治疗与PI3-激酶a和/或受体酪氨酸激酶（RTK）有关的疾病状况的方法。另一方面，该发明提供了一种治疗与PI3-激酶α和/或受体酪氨酸激酶（RTK）有关的疾病状况的方法。另一方面，提出了一种抑制细胞中Akt（S473）磷酸化的方法。
[EN] IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION<br/>[FR] DÉRIVÉS D'IMIDAZO[4,5-C]QUINOLÉINE ET LEUR UTILISATION DANS LE TRAITEMENT DE TUMEURS ET/OU D'UNE INFLAMMATION

申请人：PIRAMAL LIFE SCIENCES LTD

公开号：WO2011001212A1

公开（公告）日：2011-01-06

The present invention provides the compounds of formula (I): (I) The present invention relates to imidazo[4,5-c]quinoline derivatives of formula (I), process for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases mediated by phosphatidylinositol-3-kinase (PBK) and/or mammalian target of rapamycin (mTOR) and/or tumor necrosis factor-α (TNF-oc) and/or interleukin-6 (IL-6), particularly in the treatment of cancer and inflammation.

本发明提供了式(I)的化合物：(I) 本发明涉及式(I)的咪唑[4,5-c]喹啉衍生物，其制备方法，含有它们的药物组合物以及它们在治疗由磷脂酰肌醇-3-激酶（PI3K）和/或哺乳动物雷帕霉素靶标（mTOR）和/或肿瘤坏死因子-α（TNF-α）和/或白细胞介素-6（IL-6）介导的疾病中的应用，特别是在治疗癌症和炎症中的应用。
IMIDAZO [4,5-C]QUINOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TUMORS AND/OR INFLAMMATION

申请人：Kumar Sanjay

公开号：US20120108627A1

公开（公告）日：2012-05-03

The present invention provides the compounds of formula (I): The present invention relates to imidazo[4,5-c]quinoline derivatives of formula (I), process for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases mediated by phosphatidylinositol-3-kinase (PBK) and/or mammalian target of rapamycin (mTOR) and/or tumor necrosis factor-α (TNF-oc) and/or interleukin-6 (IL-6), particularly in the treatment of cancer and inflammation.

本发明提供了如下公式(I)的化合物：本发明涉及公式(I)的咪唑[4,5-c]喹啉衍生物，其制备方法，含有它们的药物组合物以及它们在治疗由磷脂酰肌醇-3-激酶（PBK）和/或哺乳动物雷帕霉素靶标（mTOR）和/或肿瘤坏死因子-α（TNF-α）和/或白细胞介素-6（IL-6）介导的疾病中的应用，特别是在治疗癌症和炎症中的应用。
[EN] RAPAMYCIN ANALOGS AS MTOR INHIBITORS<br/>[FR] ANALOGUES DE LA RAPAMYCINE UTILISÉS EN TANT QU'INHIBITEURS DE MTOR

申请人：REVOLUTION MEDICINES INC

公开号：WO2018204416A1

公开（公告）日：2018-11-08

The present disclosure relates to rapamycin analogs of the general Formula (I). The compounds are inhibitors of mTOR and thus useful for the treatment of cancer, immune-mediated diseases and age related conditions.

本公开涉及一般式（I）的雷帕霉素类似物。这些化合物是mTOR的抑制剂，因此对于治疗癌症、免疫介导性疾病和与年龄相关的疾病是有用的。