5-(6-methoxy-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid | 1100215-59-5

• 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
• 英文名称: 5-(6-methoxy-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
• 英文别名: 5-(6-Methoxy-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid；5-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
• CAS: 1100215-59-5
• 化学式: C₁₇H₁₆N₂O₄
• 分子量: 312.325
• InChiKey: UVVMTKCWLMRPIZ-GHXNOFRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  91.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(6-methoxy-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid 、 6-氨基己酸甲酯 盐酸盐 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以75%的产率得到6-(5-(6-methoxy-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carbonyl)aminohexanoic acid methyl ester
  参考文献：
  名称：

  [EN] 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS
  [FR] DÉRIVÉS DE 3-(4-AMIDOPYRROL-2-YLMÉTHYLIDÈNE)-2-INDOLINONE COMME INHIBITEURS DE PROTÉINE KINASE ET INHIBITEURS D'HISTONE DÉSACÉTYLASE MULTI-CIBLES

  摘要：

  公式（I）的孤立化合物及其立体异构体、对映体、二对映体和药学上可接受的盐已被描述，以及用于治疗与异常蛋白激酶活性和/或异常组蛋白去乙酰化酶活性相关的疾病的这些化合物和其组合物的生产过程和使用方法，例如炎症性疾病、自身免疫疾病、癌症、改善异常细胞增殖、神经和神经退行性疾病、心血管疾病、过敏和哮喘和/或激素相关疾病。

  公开号：

  WO2009014941A1

文献信息

• 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS
  申请人：LU Xian-Ping

  公开号：US20090298886A1

  公开（公告）日：2009-12-03

  The present invention relates to 2-indolinone derivatives which are capable of inhibiting protein kinases and histone deacetylases. The compounds of this invention are therefore useful in treating diseases associated with abnormal protein kinase activities or abnormal histone deacetylase activities. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing these compounds are also disclosed.

  本发明涉及能够抑制蛋白激酶和组蛋白去乙酰化酶的2-吲哚酮衍生物。因此，本发明的化合物在治疗与异常蛋白激酶活性或异常组蛋白去乙酰化酶活性相关的疾病方面具有用途。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疾病的方法，以及制备这些化合物的方法。
• 2-indolinone derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors
  申请人：Shenzhen Chipscreen Biosciences Ltd.

  公开号：US08158656B2

  公开（公告）日：2012-04-17

  The present invention relates to 2-indolinone derivatives which are capable of inhibiting protein kinases and histone deacetylases. The compounds of this invention are therefore useful in treating diseases associated with abnormal protein kinase activities or abnormal histone deacetylase activities. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing these compounds are also disclosed.

  本发明涉及能够抑制蛋白激酶和组蛋白去乙酰化酶的2-吲哚酮衍生物。因此，本发明的化合物在治疗与异常蛋白激酶活性或异常组蛋白去乙酰化酶活性相关的疾病方面是有用的。本发明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疾病的方法以及制备这些化合物的方法。
• NEUE INDOL-PYRROL-DERIVATE ZUR BEHANDLUNG PROLIFERATIVER UND INFLAMMATORISCHER KRANKHEITEN
  申请人：ScheBo Biotech AG

  公开号：EP2029580B1

  公开（公告）日：2010-06-16
• BioMarkers for the Progression of Alzheimer's Disease
  申请人：He Yunsheng

  公开号：US20100035251A1

  公开（公告）日：2010-02-11

  The genetic polymorphism LRRK2 (leucine-rich repeat kinase 2)-T1602S is significantly associated with conversion from mild cognitive impairment (MCI) to Alzheimer's disease (AD), with the patients with TT genotype being at greater risk to progress to Alzheimer's disease. The LRRK2-T2352 also showed a trend for conversion to Alzheimer's disease, with the patients with CC genotype tending to progress to Alzheimer's disease. Similar to the APOE-E4 allele, in the presence of a BuChE-K variant, LRRK2-T1602S and LRRK2-T2352 showed a greater association with the rate of conversion from mild cognitive impairment to Alzheimer's disease. In another study with placebo-treated Alzheimer's disease patients, LRRK2-T1602S and LRRK2-T2352 showed a same trend of association. The Alzheimer's disease patients with TT genotype of LRRK2-T1602S or CC genotype of LRRK2-T2352 tended to decline faster on cognitive performance over 6 months, especially in the presence of a BuChE-K variant. The association between the two common LRRK2 polymorphisms and Alzheimer's disease progression shows that LRRK2 may play a role in Alzheimer's disease pathogenesis, especially disease progression, and that polymorphisms of LRRK2 can be used as biomrkers of this progression.
• US8158656B2
  申请人：——

  公开号：US8158656B2

  公开（公告）日：2012-04-17