(Z)-methyl 3-(((4-(2-(dimethylamino)-N-methylacetamido)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate | 1448875-05-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-methyl 3-(((4-(2-(dimethylamino)-N-methylacetamido)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
• 英文别名: methyl (3Z)-3-[[4-[[2-(dimethylamino)acetyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
• CAS: 1448875-05-5
• 化学式: C₂₇H₂₇N₅O₄
• 分子量: 485.542
• InChiKey: CXOZMFHXHCWYOM-VHXPQNKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (Z)-methyl 3-(((4-((3-(dimethylamino)-3-oxopropyl)(methyl)amino)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate 、 (Z)-methyl 3-(((4-(2-(1,1-dioxidothiomorpholino)-N-methylacetamido)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate 、 (Z)-methyl 3-(((4-(2-(dimethylamino)-N-methylacetamido)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate 、 (Z)-methyl 3-(((4-(methyl(2-(4-methylpiperazin-1-yl)ethyl)amino)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-c]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[3-(dimethylamino)-3-oxopropyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-c]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-c]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[2-(dimethylamino)acetyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-c]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-c]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[3-(dimethylamino)-3-oxopropyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[[2-(dimethylamino)acetyl]-methylamino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate 、 methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-pyrrolo[3,2-b]pyridine-6-carboxylate 生成 (Z)-methyl 3-(((4-((2-(ethyl(methyl)amino)-2-oxoethyl)(methyl)amino)phenyl)amino)(phenyl)methylene)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
  参考文献：
  名称：

  Antifibrotic compounds and uses thereof

  摘要：

  本发明提供具有通式(I)的化合物及其药学上可接受的衍生物，如本文中一般和各类和子类中所述，并且还提供了其制药组合物以及使用其治疗任何涉及异常或过度纤维化的疾病或病症的方法。

  公开号：

  US09040555B2

文献信息

• ANTIFIBROTIC COMPOUNDS AND USES THEREOF
  申请人：PANICKER Bijoy

  公开号：US20150306078A1

  公开（公告）日：2015-10-29

  The present invention provides compounds having the general structural formula (I) and pharmaceutically acceptable derivatives thereof, as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof, and methods for the use thereof for the treatment of any of a number of conditions or diseases involving abnormal or excessive fibrosis.

  本发明提供具有一般结构式（I）及其药学上可接受的衍生物的化合物，如在本文中一般描述的类别和亚类别中，并另外提供这些药物组合物以及使用它们用于治疗涉及异常或过度纤维化的多种疾病或病症的方法。
• METHODS AND USES OF COMPOUNDS FOR TREATING DISEASE
  申请人：NARAYAN Prakash

  公开号：US20150105380A1

  公开（公告）日：2015-04-16

  The present invention provides methods for treating polycystic kidney disease by administering a compound or pharmaceutical composition thereof having the general structural formula (I) and pharmaceutically acceptable derivatives thereof, as described generally and in classes and subclasses herein.

  本发明提供了治疗多囊肾病的方法，通过给予具有一般结构式（I）及其药用可接受衍生物的化合物或药物组合物，如本文中一般描述和类别和子类描述的。
• ANTI-FIBROTIC COMPOUNDS AND USES THEREOF
  申请人：Angion Biomedica Corp.

  公开号：EP3604307A1

  公开（公告）日：2020-02-05

  A compound having the structure of Formula (III) or Formula (IV): or a pharmaceutically acceptable salt thereof, wherein R1 is -COOR5, R2 is H, R3 and R4 are independently H or substituted or unsubstituted aryl or heteroaryl, R5 is an alkyl group having 1-6 carbon atoms, and B is O or S.

  具有式（III）或式（IV）结构的化合物： 或其药学上可接受的盐，其中 R1 是-COOR5，R2 是 H，R3 和 R4 独立地是 H 或取代或未取代的芳基或杂芳基，R5 是具有 1-6 个碳原子的烷基，B 是 O 或 S。
• [EN] ANTIFIBROTIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ANTIFIBROTIQUES ET LEURS UTILISATIONS
  申请人：ANGION BIOMEDICA CORP

  公开号：WO2013112959A9

  公开（公告）日：2015-01-15
• METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE
  申请人：Angion Biomedica Corp.

  公开号：US20220401423A1

  公开（公告）日：2022-12-22

  The present disclosure provides methods for treating inflammatory bowel disease including Crohn's disease and ulcerative colitis by administering a compound of Formula (I) and pharmaceutically acceptable derivatives thereof, as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof.