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3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H | 345261-20-3

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

3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H

中文别名

——

英文名称

3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dion

英文别名

3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione；3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione；3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H化学式

CAS

345261-20-3

化学式

C₂₃H₁₇N₃O₂

mdl

——

分子量

367.407

InChiKey

KHOMTMSVRMPSGP-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

718.5±60.0 °C(Predicted)
密度：

1.49±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.1
重原子数：

28
可旋转键数：

2
环数：

6.0
sp3杂化的碳原子比例：

0.13
拓扑面积：

66.9
氢给体数：

2
氢受体数：

2

安全信息

海关编码：

2933990090

SDS

SDS：16987e2746c8567446fbbc6bc88539ef

查看

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
2-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-2-氧代乙酸甲酯	methyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl-oxoacetate	345264-02-0	C₁₄H₁₃NO₃	243.262
5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-羧酸乙酯	5,6-dihydro-4H-pyrrolo [3,2,1-ij]quinoline-1-carboxylic acid ethyl ester	124730-53-6	C₁₄H₁₅NO₂	229.279
5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-羧酸	5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid	124730-56-9	C₁₂H₁₁NO₂	201.225

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1-methylindol-3-yl)-1-methyl pyrrole-2,5-dione	905854-71-9	C₂₅H₂₁N₃O₂	395.461
(3R,4R)-3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮	Tivantinib	905854-02-6	C₂₃H₁₉N₃O₂	369.423
(3S,4S)-3-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉)-4-(1H-吲哚)-2,5-吡咯烷二酮	(±)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione	905854-03-7	C₂₃H₁₉N₃O₂	369.423
——	3(S),4(R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione	——	C₂₃H₁₉N₃O₂	369.423
——	(±)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-1-hydroxymethyl-4-(1H-indol-3-yl)pyrrolidine-2,5-dione	——	C₂₄H₂₁N₃O₃	399.449
——	(±)-trans-2-dimethylaminoacetic acid-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-1-ylmethyl ester	——	C₂₈H₂₈N₄O₄	484.555
——	phosphoric acid dibenzyl ester trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-2,5-dioxo-pyrrolidin-1-ylmethyl ester	——	C₃₈H₃₄N₃O₆P	659.678
——	11H, 12H, 14H-pyrrolo[3,4-c]quinolino[8',8a',1':3,2,1]-pyrrolo[2,3-a]carbazole-5,7-dione	345261-69-0	C₂₃H₁₅N₃O₂	365.391

反应信息

作为反应物：

描述：

3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H 在 20 % Pd(OH)2/C 盐酸、 potassium tert-butylate 、氢气作用下，以四氢呋喃、 3-甲基四氢呋喃、醋酸异丙酯、水、乙腈为溶剂， 45.0~55.0 ℃ 、551.59 kPa 条件下，生成 (3R,4R)-3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮

参考文献：

名称：

Purified Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same

摘要：

本发明涉及(-)-trans-3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮的形式1和形式2晶型。本发明还涉及手性纯度大于99%的(-)-trans-3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮化合物，以及制备这些化合物的方法。本发明还涉及包含这些(-)-trans-3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮化合物的药物组合物。本发明提供了通过向需要的受体施用含有手性纯度大于99%的(-)-trans-3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮或(-)-trans-3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮的形式1和形式2晶型的组合物的治疗细胞增殖紊乱，如癌症的方法。

公开号：

US20110160242A1
作为产物：

描述：

5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-羧酸在 potassium tert-butylate 作用下，以四氢呋喃、喹啉、乙醚为溶剂，反应 4.5h，生成 3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H

参考文献：

名称：

COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER

摘要：

本发明提供了治疗细胞增殖紊乱（如癌症）的方法，通过向需要的受试者投予一种吡啶喹啉基吡咯-2,5-二酮化合物或吡啶喹啉基吡咯啉-2,5-二酮化合物的治疗有效量，与第二种抗增殖剂的治疗有效量结合使用。

公开号：

US20150328208A1
作为试剂：

描述：

四氢呋喃、 3-吲哚乙酰胺在乙醛酸甲酯、四氢呋喃、盐酸、 3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H 、二氯甲烷、正庚烷作用下，以甲基叔丁基醚为溶剂，以to afford crude Compound 6的产率得到3-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-4-(1H-吲哚-3-基)-1H

参考文献：

名称：

PURIFIED PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME

摘要：

本发明涉及一种(±)-反式-3-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯啉-2,5-二酮二氯甲烷。

公开号：

US20160024076A1

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文献信息

Agents and methods for the treatment of proliferative diseases

申请人：——

公开号：US20030229026A1

公开（公告）日：2003-12-11

The present invention provides selective kinase inhibitors of formula (I). 1

这项发明提供了式（I）的选择性激酶抑制剂。
Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same

申请人：ARQULE, INC.

公开号：US20130281699A1

公开（公告）日：2013-10-24

The present invention relates to highly-pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin- 1 -yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof. The present invention also relates to methods for preparing highly-pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof.

本发明涉及高纯度的吡咯喹啉基吡咯-2,5-二酮和吡咯喹啉基吡咯啉-2,5-二酮，例如3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯啉-2,5-二酮，以及其药学上可接受的盐、溶剂和对映体。本发明还涉及制备高纯度的吡咯喹啉基吡咯-2,5-二酮和吡咯喹啉基吡咯啉-2,5-二酮的方法，例如3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯啉-2,5-二酮，以及其药学上可接受的盐、溶剂和对映体。
[EN] HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME<br/>[FR] PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE ET PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE DE PURETÉ ÉLEVÉE ET LEURS PROCÉDÉS DE PRÉPARATION

申请人：ARQULE INC

公开号：WO2013162714A1

公开（公告）日：2013-10-31

The present invention relates to highly-pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H-pyrrolo[3,2,l-ij]quinolin-l- yl)-4-(lH-indol-3-yl)-lH-pyrrole-2,5-dione, 3-(5,6-dihydro-4H-pyrrolo[3,2,l-ij]quinolin-l-yl)-4-(lH- indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof. The present invention also relates to methods for preparing highly-pure pyrroloquinolinyl- pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H- pyrrolo[3,2,l-ij]quinolin-l-yl)-4-(lH-indol-3-yl)-lH-pyrrole-2,5-dione, 3-(5,6-dihydro-4H- pyrrolo[3,2,l-ij]quinolin-l-yl)-4-(lH-indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof.

本发明涉及高纯度吡咯并喹啉基吡咯-2,5-二酮和吡咯并喹啉基吡咯烷-2,5-二酮，例如3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮，以及其药学上可接受的盐，溶剂化合物和对映体。本发明还涉及制备高纯度吡咯并喹啉基吡咯-2,5-二酮和吡咯并喹啉基吡咯烷-2,5-二酮的方法，例如3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,l-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮，以及其药学上可接受的盐，溶剂化合物和对映体的方法。
Highly pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione and methods of preparing same

申请人：ArQule, Inc.

公开号：US09000005B2

公开（公告）日：2015-04-07

The present invention relates to highly-pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof. The present invention also relates to methods for preparing highly-pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione, for example, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, and pharmaceutically acceptable salts, solvates, and diastereomers thereof.

本发明涉及高纯度的吡咯并喹啉基吡咯-2,5-二酮和吡咯并喹啉基吡咯啉-2,5-二酮，例如3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯啉-2,5-二酮，以及其药学上可接受的盐、溶剂和对映体。本发明还涉及制备高纯度的吡咯并喹啉基吡咯-2,5-二酮和吡咯并喹啉基吡咯啉-2,5-二酮的方法，例如3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)-1H-吡咯-2,5-二酮，3-(5,6-二氢-4H-吡咯[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯啉-2,5-二酮，以及其药学上可接受的盐、溶剂和对映体。
[EN] PURIFIED PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME<br/>[FR] COMPOSITIONS PURIFIÉES DE PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE ET LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION

申请人：ARQULE INC

公开号：WO2011079142A2

公开（公告）日：2011-06-30

The present invention relates to a form 1 and form 2 polymorph of (-)-trans -3 -(5,6- dihydro-4H-pyrrolo [3,2,1-ij] quinolin-1-yl)-4-(1H-indol-3-yl) pyrrolidine-2,5-dione. The present invention also relates to (-)-trans-3-(5,6-dihydro-4H-pyrrolo [3,2,1-ij] quinolin-1-yl)-4- (1H-indol-3-yl) pyrrolidine-2, 5-dione compounds having a chiral purity greater than 99%, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising these (-)-trans-3-(5,6-dihydro-4H-pyrrolo [3,2,1-ij] quinolin-l-yl)-4-(lH-indol-3-yl) pyrrolidine-2, 5-dione compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a composition comprising (-)-trans- 3-(5,6-dihydro-4H-pyrrolo [3,2,1-ij] quinolin-l-yl)-4-(lH-indol-3-yl) pyrrolidine-2, 5-dione having a chiral purity greater than 99% or a form 1 and form 2 polymorph of (-)-trans -3 -(5,6- dihydro-4H-pyrrolo [3,2,1-ij] quinolin-1-yl)-4-(1H-indol-3-yl) pyrrolidine-2,5-dione.

本发明涉及一种(-)-trans-3-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮的1型和2型多晶形。本发明还涉及具有手性纯度大于99%的(-)-trans-3-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮化合物，以及制备这些化合物的方法。本发明还涉及包含这些(-)-trans-3-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮化合物的制药组合物。本发明提供了通过向需要治疗细胞增殖性疾病，如癌症的患者投与具有手性纯度大于99%或(-)-trans-3-(5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉-1-基)-4-(1H-吲哚-3-基)吡咯烷-2,5-二酮的1型和2型多晶形的组合物的治疗方法。