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(Z)-5-[{5-(2,6-dichlorobenzylsulfonyl)-2-oxoindolin-3-ylidene}methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid | 477574-82-6

分子结构分类

有机化合物 - 有机杂环化合物 - 吲哚及其衍生物

中文名称

——

中文别名

——

英文名称

(Z)-5-[{5-(2,6-dichlorobenzylsulfonyl)-2-oxoindolin-3-ylidene}methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

英文别名

5-[5-(2,6-dichloro-phenylmethanesulfonyl)-2-oxo-1,2-dihydro-indol-(3 Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid；5-[5-(2,6-dichloro-phenylmethanesulfonyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid；5-[(Z)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

(Z)-5-[{5-(2,6-dichlorobenzylsulfonyl)-2-oxoindolin-3-ylidene}methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid化学式

CAS

477574-82-6

化学式

C₂₃H₁₈Cl₂N₂O₅S

mdl

——

分子量

505.378

InChiKey

SZVNEEQQUORUQG-DHDCSXOGSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

821.4±65.0 °C(Predicted)
密度：

1.537±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4
重原子数：

33
可旋转键数：

5
环数：

4.0
sp3杂化的碳原子比例：

0.13
拓扑面积：

125
氢给体数：

3
氢受体数：

5

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
5-[(2,6-二氯苄基)磺酰基]-1,3-二氢-2H-吲哚-2-酮	5-(2,6-dichlorobenzyl)sulfonylindolin-2-one	477573-39-0	C₁₅H₁₁Cl₂NO₃S	356.229

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-[1-[4-(4-Cyclopropylmethyl-piperazine-1-carbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477576-64-0	C₃₁H₃₂Cl₂N₄O₄S	627.591
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((S)-3-pyrrolidin-1-ylmethyl-piperidine-1-carbonyl)-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477576-66-2	C₃₃H₃₆Cl₂N₄O₄S	655.645
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-(4-morpholin-4-yl-piperidine-1-carbonyl)-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477575-62-5	C₃₂H₃₄Cl₂N₄O₅S	657.618
——	3-[1-[4-((S)-3-Cyclopropylaminomethyl-piperidine-1-carbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477576-87-7	C₃₂H₃₄Cl₂N₄O₄S	641.618
(2R)-1-[[5-[(Z)-[5-[[(2,6-二氯苯基)甲基]磺酰]-1,2-二氢-2-氧代-3H-吲哚-3-亚基]甲基]-2,4-二甲基-1H-吡咯-3-基]羰基]-2-(1-吡咯烷甲基)吡咯烷	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-[3,5-dimethyl-4-((R)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477575-56-7	C₃₂H₃₄Cl₂N₄O₄S	641.618
——	3-[1-[4-((R)-2-cyclopropylaminomethyl-pyrrolidin-1-carbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-5-(2,6-dichlorophenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477575-00-1	C₃₁H₃₂Cl₂N₄O₄S	627.591
——	3-[1-[4-((S)-2-Cyclopropylaminomethyl-pyrrolidine-1-carbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477575-59-0	C₃₁H₃₂Cl₂N₄O₄S	627.591
——	3-[1-(4-{(S)-2-[(Cyclopropyl-methyl-amino)-methyl]-pyrrolidine-1-carbonyl}-3,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477575-67-0	C₃₂H₃₄Cl₂N₄O₄S	641.618
——	3-[1-(4-{(R)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl }-3,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477576-47-9	C₃₂H₃₄Cl₂N₄O₄S	641.618
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(R)-2-(4-fluoro-piperidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477577-01-8	C₃₃H₃₅Cl₂FN₄O₄S	673.636
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(S)-2-(4-fluoro-piperidine-1-yl methyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477576-89-9	C₃₃H₃₅Cl₂FN₄O₄S	673.636
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(S)-2-(4-hydroxy-piperidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477575-43-2	C₃₃H₃₆Cl₂N₄O₅S	671.645
——	5-(2,6-dichloro-phenylmethanesulfonyl)-3-[1-{4-[(S)-2-((R)-3-fluoro-pyrrolidin-1-ylmethyl)pyrrolidin-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477575-04-5	C₃₂H₃₃Cl₂FN₄O₄S	659.609
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(R)-2-((R)-3-fluoro-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477576-92-4	C₃₂H₃₃Cl₂FN₄O₄S	659.609
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(S)-2-((S)-3-fluoro-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477577-52-9	C₃₂H₃₃Cl₂FN₄O₄S	659.609
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(S)-2-((R)-3-hydroxy-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477576-75-3	C₃₂H₃₄Cl₂N₄O₅S	657.618
——	5-(2,6-Dichloro-phenylmethanesulfonyl)-3-[1-{4-[(R)-2-((R)-3-hydroxy-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl }-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one	477576-76-4	C₃₂H₃₄Cl₂N₄O₅S	657.618
——	3-[1-[4-((2R,4R)-2-Cyclopropylaminomethyl-4-hydroxy-pyrrolidine-1-carbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-5-(2,6-dichloro-phenylmethanesulfonyl)-1,3-dihydro-indol-2-one	477576-73-1	C₃₁H₃₂Cl₂N₄O₅S	643.591
——	3-[1-[4-(4-Cyclopropylamino-piperidine-1-carbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]-meth-(Z)-ylidene]-5-(2,6-difluoro-phenylmethanesulfonyl)-1-3-dihydro-indol-2-one	477577-49-4	C₃₁H₃₂F₂N₄O₄S	594.682

反应信息

作为反应物：

描述：

(Z)-5-[{5-(2,6-dichlorobenzylsulfonyl)-2-oxoindolin-3-ylidene}methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 、 (R)-(+)-1-(2-pyrrolidinylmethyl)pyrrolidine 在 EDAC 、三乙醇胺、 1-羟基苯并三唑作用下，以 N,N-二甲基甲酰胺为溶剂，生成 (2R)-1-[[5-[(Z)-[5-[[(2,6-二氯苯基)甲基]磺酰]-1,2-二氢-2-氧代-3H-吲哚-3-亚基]甲基]-2,4-二甲基-1H-吡咯-3-基]羰基]-2-(1-吡咯烷甲基)吡咯烷

参考文献：

名称：

5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS

摘要：

本发明涉及某些抑制激酶的5-烷基磺酰基-3-(吡咯-2-基甲烯基)-2-吲哚酮衍生物，特别是met激酶。还公开了包含这些化合物的药物组合物、利用包含这些化合物的药物组合物治疗激酶介导的疾病的方法，以及它们的制备方法。

公开号：

US20030125370A1
作为产物：

描述：

2,4-二甲基-3-吡咯羧酸乙酯在哌啶、 potassium hydroxide 、三氯氧磷作用下，以甲醇、乙醇、二氯甲烷、水为溶剂，反应 10.5h，生成 (Z)-5-[{5-(2,6-dichlorobenzylsulfonyl)-2-oxoindolin-3-ylidene}methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

参考文献：

名称：

线粒体靶向MET激酶抑制剂杀死耐厄洛替尼的肺癌细胞。

摘要：

具有激活的EGFR突变的肺癌细胞通过激活多种旁路机制（包括MET扩增和过表达）而获得了对EGFR酪氨酸激酶抑制剂（TKI）的抗性。我们显示，在EGFR TKI耐药的HCC827肺癌细胞中，活化的MET蛋白有很大比例位于线粒体内。靶向质膜和线粒体中MET的全部补体应使这些细胞更易于细胞死亡，因此提供了规避耐药性的手段。在此，将线粒体靶向三苯基phosph（TPP）部分引入选择性MET激酶抑制剂PHA665752。产生的TPP类似物迅速定位于过表达MET的耐厄洛替尼的HCC827细胞的线粒体，部分抑制线粒体内膜中MET的磷酸化（Y1234 / Y1235），并且与母体化合物一样具有细胞毒性和凋亡。这些发现为使用TPP-TKI偶联物靶向线粒体MET提供了支持，以恢复对化学疗法的反应性。

DOI：

10.1021/acsmedchemlett.6b00223

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文献信息

[EN] DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR<br/>[FR] AGENTS DE MODULATION DE LA DIFFERENCIATION ET UTILISATIONS ASSOCIEES

申请人：UNIV QUEENSLAND

公开号：WO2005065686A1

公开（公告）日：2005-07-21

This invention discloses methods and agents for modulating the differentiation potential and/or proliferation of preadipocytes. More particularly, the present invention discloses methods and agents for modulating a fibroblast growth factor (FGF) signalling pathway, especially the FGF-1 or FGF-2 signalling pathway, for treating or preventing adiposity-related conditions including, but not limited to, obesity, lipoma and lipomatosis.

该发明揭示了调节前脂肪细胞分化潜能和/或增殖的方法和药剂。更具体地，本发明揭示了调节成纤维细胞生长因子（FGF）信号通路的方法和药剂，特别是FGF-1或FGF-2信号通路，用于治疗或预防与脂肪相关的疾病，包括但不限于肥胖、脂肪瘤和脂肪增生。
5-aralkysufonyl-3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives as kinase inhibitors

申请人：Sugen, Inc.

公开号：US06599902B2

公开（公告）日：2003-07-29

The present invention relates to certain 5-aralkylsulfonyl-3-(pyrrol-2-yl-methylidene)-2-indolinone derivatives that inhibit kinases, in particular met kinase. Pharmaceutical compositions comprising these compounds, methods of treating diseases mediated by kinases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing them are also disclosed.

本发明涉及某些5-芳基磺酰基-3-(吡咯-2-基甲基亚甲基)-2-吲哚酮衍生物，其抑制激酶，特别是MET激酶。还公开了包含这些化合物的制药组合物，利用包含这些化合物的制药组合物治疗由激酶介导的疾病的方法，以及制备它们的方法。
Differentiation modulating agents and uses therefor

申请人：Prins Bernhard Johannes

公开号：US20050282733A1

公开（公告）日：2005-12-22

The present invention is directed to methods and agents for modulating the differentiation potential and/or proliferation of preadipocytes. More particularly, the present invention discloses methods and agents for modulating a fibroblast growth factor (FGF) signaling pathway, especially the FGF-1 or FGF-2 signaling pathway, for treating or preventing adiposity-related conditions including, but not limited to, obesity, lipoma, lipomatosis, cachexia or lipodystrophy or the loss of adipose tissue in trauma or atrophic conditions.
DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR

申请人：Prins Johannes Bernhard

公开号：US20120059047A1

公开（公告）日：2012-03-08

The present invention is directed to methods and agents for modulating the differentiation potential and/or proliferation of preadipocytes. More particularly, the present invention discloses methods and agents for modulating a fibroblast growth factor (FGF) signaling pathway, especially the FGF-1 or FGF-2 signaling pathway, for treating or preventing adiposity-related conditions including, but not limited to, obesity, lipoma, lipomatosis, cachexia or lipodystrophy or the loss of adipose tissue in trauma or atrophic conditions.
US6599902B2

申请人：——

公开号：US6599902B2

公开（公告）日：2003-07-29