83911-48-2 (9H-吡啶并[3,4-b]吲哚-3-甲腈,9H-Pyrido3,4-bindole-3-carbonitrile)

快速询单

结构式：

9H-吡啶并[3,4-b]吲哚-3-甲腈MOL文件

CAS号：

83911-48-2

中文名称：

9H-吡啶并[3,4-b]吲哚-3-甲腈

英文名称：

9H-Pyrido3,4-bindole-3-carbonitrile

分子式：

C₁₂H₇N₃

分子量：

193.204081773758

9H-吡啶并[3,4-b]吲哚-3-甲腈(83911-48-2)名称与标识符

名称

中文别名：

9H-吡啶并[3,4-b]吲哚-3-甲腈;

英文别名：

9H-Pyrido[3,4-b]indole-3-carbonitrile;3-Cyano-β-carboline;β-Carboline-3-carbonitrile;83911-48-2;DTXSID20602000;9H-beta-Carboline-3-carbonitrile;BS-41693;CS-0060592;MFCD21337215;SY023944;3-cyano-beta-carboline;DB-360092;Y10042;AKOS016015056;CHEMBL5266558;SCHEMBL7379425;RYLDZJANGRBUGW-UHFFFAOYSA-N;3-Cyano-9H-pyrido[3,4-b]indole;

标识符

MDL：

MFCD21337215

InChIKey：

RYLDZJANGRBUGW-UHFFFAOYSA-N

Inchi：

1S/C12H7N3/c13-6-8-5-10-9-3-1-2-4-11(9)15-12(10)7-14-8/h1-5,7,15H

SMILES：

N#CC1C=C2C(NC3C2=CC=CC=3)=CN=1

9H-吡啶并[3,4-b]吲哚-3-甲腈(83911-48-2)物化性质

实验特性

溶解度 : 几乎不溶 (0.015 g/L) (25 ºC),
密度 : 1.37±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 193.063997236g/mol
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 193.063997236g/mol
重原子数量 : 15
复杂度 : 293
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.2
拓扑分子极性表面积 : 52.5Å²

9H-吡啶并[3,4-b]吲哚-3-甲腈(83911-48-2)推荐厂家更多厂家(12)

公司名称	手机号/电话	联系人	QQ	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
Hefei Hirisun Pharmatech Co., Ltd.				询单

9H-吡啶并[3,4-b]吲哚-3-甲腈(83911-48-2)合成路线

合成路线：1 步

82596-91-6

_60%

83911-48-2

反应条件：

1.1 Reagents: Ammonium hydroxide , Iodine Solvents: Tetrahydrofuran , Water ; rt; 30 min, rt
1.2 Reagents: Water

参考文献：

Preparation of 1,3,6-trisubstituted-β-carboline compounds as cyclin dependent kinase 2 inhibitors

, China, , ,

合成路线：1 步

82596-91-6

83911-48-2

反应条件：

1.1 Reagents: Iodine , Ammonia Solvents: Tetrahydrofuran , Water ; rt

参考文献：

A facile synthesis of 3-substituted 9H-pyrido[3,4-b]indol-1(2H)-one derivatives from 3-substituted β-carbolines

Lin, Guowu; et al, Molecules, 2010, 15, 5680-5691

合成路线：2 步

65474-79-5

83911-48-2

反应条件：

1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; 24 h, rt → reflux
2.1 Reagents: Ammonium hydroxide , Iodine Solvents: Tetrahydrofuran , Water ; rt; 30 min, rt
2.2 Reagents: Water

参考文献：

Preparation of 1,3,6-trisubstituted-β-carboline compounds as cyclin dependent kinase 2 inhibitors

, China, , ,

合成路线：2 步

65474-79-5

83911-48-2

反应条件：

1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; reflux
2.1 Reagents: Iodine , Ammonia Solvents: Tetrahydrofuran , Water ; rt

参考文献：

A facile synthesis of 3-substituted 9H-pyrido[3,4-b]indol-1(2H)-one derivatives from 3-substituted β-carbolines

Lin, Guowu; et al, Molecules, 2010, 15, 5680-5691

合成路线：3 步

74214-62-3

83911-48-2

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 2 h, 0 - 5 °C
1.2 Reagents: Water ; cooled
2.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; 24 h, rt → reflux
3.1 Reagents: Ammonium hydroxide , Iodine Solvents: Tetrahydrofuran , Water ; rt; 30 min, rt
3.2 Reagents: Water

参考文献：

Preparation of 1,3,6-trisubstituted-β-carboline compounds as cyclin dependent kinase 2 inhibitors

, China, , ,

合成路线：3 步

74214-62-3

83911-48-2

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 10 °C
2.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; reflux
3.1 Reagents: Iodine , Ammonia Solvents: Tetrahydrofuran , Water ; rt

参考文献：

A facile synthesis of 3-substituted 9H-pyrido[3,4-b]indol-1(2H)-one derivatives from 3-substituted β-carbolines

Lin, Guowu; et al, Molecules, 2010, 15, 5680-5691

合成路线：4 步

41300-23-6

83911-48-2

反应条件：

1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Dimethylformamide ; cooled; 24 h, rt
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 2 h, 0 - 5 °C
2.2 Reagents: Water ; cooled
3.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; 24 h, rt → reflux
4.1 Reagents: Ammonium hydroxide , Iodine Solvents: Tetrahydrofuran , Water ; rt; 30 min, rt
4.2 Reagents: Water

参考文献：

Preparation of 1,3,6-trisubstituted-β-carboline compounds as cyclin dependent kinase 2 inhibitors

, China, , ,

合成路线：4 步

反应条件：

1.1 Reagents: Sodium hydroxide
1.2 Reagents: Thionyl chloride
1.3 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Dimethylformamide ; rt
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 10 °C
3.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; reflux
4.1 Reagents: Iodine , Ammonia Solvents: Tetrahydrofuran , Water ; rt

参考文献：

A facile synthesis of 3-substituted 9H-pyrido[3,4-b]indol-1(2H)-one derivatives from 3-substituted β-carbolines

Lin, Guowu; et al, Molecules, 2010, 15, 5680-5691

合成路线：5 步

6052-68-2

64-17-5

83911-48-2

反应条件：

1.1 Reagents: Thionyl chloride Solvents: Ethanol ; 2 h, rt → reflux
1.2 Reagents: Sodium hydroxide Solvents: Water ; pH 8 - 9, cooled
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Dimethylformamide ; cooled; 24 h, rt
3.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 2 h, 0 - 5 °C
3.2 Reagents: Water ; cooled
4.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; 24 h, rt → reflux
5.1 Reagents: Ammonium hydroxide , Iodine Solvents: Tetrahydrofuran , Water ; rt; 30 min, rt
5.2 Reagents: Water

参考文献：

Preparation of 1,3,6-trisubstituted-β-carboline compounds as cyclin dependent kinase 2 inhibitors

, China, , ,

合成路线：6 步

73-22-3

50-00-0

83911-48-2

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Water ; rt
1.2 Solvents: Water ; 3 h, rt; 3 h, rt → reflux
1.3 Reagents: Acetic acid Solvents: Water ; pH 6, cooled
2.1 Reagents: Thionyl chloride Solvents: Ethanol ; 2 h, rt → reflux
2.2 Reagents: Sodium hydroxide Solvents: Water ; pH 8 - 9, cooled
3.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Dimethylformamide ; cooled; 24 h, rt
4.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ; 2 h, 0 - 5 °C
4.2 Reagents: Water ; cooled
5.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; 24 h, rt → reflux
6.1 Reagents: Ammonium hydroxide , Iodine Solvents: Tetrahydrofuran , Water ; rt; 30 min, rt
6.2 Reagents: Water

参考文献：

Preparation of 1,3,6-trisubstituted-β-carboline compounds as cyclin dependent kinase 2 inhibitors

, China, , ,