799293-85-9 (3-溴噻吩并[3,2-c]吡啶-4-胺,3-Bromothieno[3,2-c]pyridin-4-amine)

快速询单

结构式：

3-溴噻吩并[3,2-c]吡啶-4-胺MOL文件

CAS号：

799293-85-9

中文名称：

3-溴噻吩并[3,2-c]吡啶-4-胺

英文名称：

3-Bromothieno[3,2-c]pyridin-4-amine

分子式：

C₇H₅BrN₂S

分子量：

229.096998929977

3-溴噻吩并[3,2-c]吡啶-4-胺(799293-85-9)名称与标识符

名称

中文别名：

3-溴-4-氨基噻吩并[3,2-c]吡啶;3-溴噻吩并[3,2-c]吡啶-4-胺;

英文别名：

3-Bromothieno[3,2-c]pyridin-4-amine;3-BROMO-4-AMINOTHIENO[3,2-C]PYRIDINE;3-bromo-Thieno[3,2-c]pyridin-4-amine;4-Amino-3-bromothieno[3,2-c]pyridine;Thieno[3,2-c]pyridin-4-amine, 3-bromo-;3-bromo-4-amino-[3,2-c]-thienopyridine;3-bromothieno[3,2-c]pyridin-4-ylamine;4-amino-3-bromo-thieno[3,2-c]pyridine;QC-5917;NRVPVUKWJYSNTO-UHFFFAOYSA-N;PB32605;FCH1386601;EN000031;AX8216989;AB0026773;W8516;ST24022811;4-A;3-Bromothieno[3,2-c]pyridin-4-amine (ACI);

标识符

MDL：

MFCD08275115

InChIKey：

NRVPVUKWJYSNTO-UHFFFAOYSA-N

Inchi：

1S/C7H5BrN2S/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H,(H2,9,10)

SMILES：

BrC1C2C(=CC=NC=2N)SC=1

3-溴噻吩并[3,2-c]吡啶-4-胺(799293-85-9)物化性质

实验特性

LogP : 2.57110
PSA : 67.88000

计算特性

精确分子量 : 227.93600
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
重原子数量 : 11
复杂度 : 155
疏水参数计算参考值（XlogP） : 2.2
拓扑分子极性表面积 : 67.2

3-溴噻吩并[3,2-c]吡啶-4-胺(799293-85-9)安全信息

危害声明：H302-H315-H319-H335
警示性声明：P261;P280;P301+P312;P302+P352;P305+P351+P338
储存条件： Keep in dark place,Inert atmosphere,2-8°C
信号词： Warning

3-溴噻吩并[3,2-c]吡啶-4-胺(799293-85-9)海关数据

海关编码：

2934999090

海关数据：

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途

Summary：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-溴噻吩并[3,2-c]吡啶-4-胺(799293-85-9)推荐厂家更多厂家(17)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
山东玖玥生物科技有限公司	15553333686	张文杰	643971	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单

3-溴噻吩并[3,2-c]吡啶-4-胺(799293-85-9)合成路线

合成路线：1 步

29064-82-2

_94%

799293-85-9

反应条件：

1.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 18 h, 150 °C

参考文献：

Discovery of thienopyridines as Src-family selective Lck inhibitors

Abbott, Lily; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1167-1171

合成路线：1 步

799293-83-7

_61%

799293-85-9

反应条件：

1.1 Reagents: Phosphorus oxychloride ; rt
1.2 Reagents: Ammonia Solvents: 1,4-Dioxane ; 290 psi, 160 °C

参考文献：

Thienopyridine urea inhibitors of KDR kinase

Heyman, H. Robin; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1246-1249

合成路线：2 步

799293-83-7

799293-85-9

反应条件：

1.1 Reagents: Phosphorus oxychloride ; 1 h, 75 °C; 75 °C → rt
1.2 Solvents: Dichloromethane , Water ; 25 °C
2.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 19 h, 300 psi, rt → 150 °C

参考文献：

Improved Synthesis of 3-Substituted-4-amino-[3,2-c]-thienopyridines

Engstrom, Kenneth M.; et al, Journal of Organic Chemistry, 2009, 74(10), 3849-3855

合成路线：3 步

103686-16-4

799293-85-9

反应条件：

1.1 Reagents: Sodium hydroxide , Thionyl chloride Solvents: Chloroform , Dimethylformamide , Water ; 1 h, rt → reflux; reflux → 50 °C
1.2 Reagents: Sodium azide Solvents: 1,4-Dioxane , Water ; 2.5 h, rt
1.3 Solvents: Dichloromethane , Diphenyl ether ; 10 min, 250 °C; 5 min, 250 °C; 250 °C → 90 °C
2.1 Reagents: Phosphorus oxychloride ; 1 h, 75 °C; 75 °C → rt
2.2 Solvents: Dichloromethane , Water ; 25 °C
3.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 19 h, 300 psi, rt → 150 °C

参考文献：

Improved Synthesis of 3-Substituted-4-amino-[3,2-c]-thienopyridines

Engstrom, Kenneth M.; et al, Journal of Organic Chemistry, 2009, 74(10), 3849-3855

合成路线：2 步

144558-44-1

799293-85-9

反应条件：

1.1 Reagents: Thionyl chloride Solvents: Dichloromethane ; rt
1.2 Reagents: Sodium azide Solvents: 1,4-Dioxane , Water ; rt
1.3 Solvents: Dichloromethane , Diphenyl ether ; reflux
2.1 Reagents: Phosphorus oxychloride ; rt
2.2 Reagents: Ammonia Solvents: 1,4-Dioxane ; 290 psi, 160 °C

参考文献：

Thienopyridine urea inhibitors of KDR kinase

Heyman, H. Robin; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1246-1249

合成路线：4 步

144558-44-1

799293-85-9

反应条件：

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide ; 14 h, rt
1.2 Reagents: Sodium azide ; 3 h, rt
2.1 Reagents: Tributylamine Solvents: Diphenyl ether ; 45 min, 225 °C
3.1 Reagents: Phosphorus oxychloride ; 2.5 h, 135 °C
4.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 18 h, 150 °C

参考文献：

Discovery of thienopyridines as Src-family selective Lck inhibitors

Abbott, Lily; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1167-1171

合成路线：4 步

144558-44-1

799293-85-9

反应条件：

1.1 Reagents: Triethylamine , Diphenylphosphoryl azide Solvents: Tetrahydrofuran ; rt
2.1 Solvents: Toluene ; 120 °C
2.2 Catalysts: Iodine Solvents: 1,2-Dichlorobenzene ; 170 °C
3.1 Reagents: Phosphorus oxychloride ; 120 °C
4.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 150 °C

参考文献：

Design and effective synthesis of novel templates, 3,7-diphenyl-4-amino-thieno and furo-[3,2-c]pyridines as protein kinase inhibitors and in vitro evaluation targeting angiogenetic kinases

Miyazaki, Yasushi; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(1), 250-254

合成路线：3 步

1150566-09-8

799293-85-9

反应条件：

1.1 4 h, rt → 100 °C; 100 °C → 40 °C
1.2 Solvents: Water ; 15 min, 40 °C; 40 °C → 23 °C
2.1 Reagents: Phosphorus oxychloride ; 1 h, 75 °C; 75 °C → rt
2.2 Solvents: Dichloromethane , Water ; 25 °C
3.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 19 h, 300 psi, rt → 150 °C

参考文献：

Improved Synthesis of 3-Substituted-4-amino-[3,2-c]-thienopyridines

Engstrom, Kenneth M.; et al, Journal of Organic Chemistry, 2009, 74(10), 3849-3855

合成路线：3 步

926925-42-0

799293-85-9

反应条件：

1.1 Reagents: Tributylamine Solvents: Diphenyl ether ; 45 min, 225 °C
2.1 Reagents: Phosphorus oxychloride ; 2.5 h, 135 °C
3.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 18 h, 150 °C

参考文献：

Discovery of thienopyridines as Src-family selective Lck inhibitors

Abbott, Lily; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1167-1171

合成路线：3 步

926925-42-0

799293-85-9

反应条件：

1.1 Solvents: Toluene ; 120 °C
1.2 Catalysts: Iodine Solvents: 1,2-Dichlorobenzene ; 170 °C
2.1 Reagents: Phosphorus oxychloride ; 120 °C
3.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 150 °C

参考文献：

Design and effective synthesis of novel templates, 3,7-diphenyl-4-amino-thieno and furo-[3,2-c]pyridines as protein kinase inhibitors and in vitro evaluation targeting angiogenetic kinases

Miyazaki, Yasushi; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(1), 250-254

合成路线：4 步

18791-75-8

141-82-2

799293-85-9

反应条件：

1.1 Solvents: Pyridine ; rt → 80 °C
1.2 Catalysts: Piperidine ; 22 h, 80 °C → 100 °C; 100 °C → 50 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; 1 h, pH 2
2.1 Reagents: Sodium hydroxide , Thionyl chloride Solvents: Chloroform , Dimethylformamide , Water ; 1 h, rt → reflux; reflux → 50 °C
2.2 Reagents: Sodium azide Solvents: 1,4-Dioxane , Water ; 2.5 h, rt
2.3 Solvents: Dichloromethane , Diphenyl ether ; 10 min, 250 °C; 5 min, 250 °C; 250 °C → 90 °C
3.1 Reagents: Phosphorus oxychloride ; 1 h, 75 °C; 75 °C → rt
3.2 Solvents: Dichloromethane , Water ; 25 °C
4.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 19 h, 300 psi, rt → 150 °C

参考文献：

Improved Synthesis of 3-Substituted-4-amino-[3,2-c]-thienopyridines

Engstrom, Kenneth M.; et al, Journal of Organic Chemistry, 2009, 74(10), 3849-3855

合成路线：5 步

18791-75-8

141-82-2

799293-85-9

反应条件：

1.1 Catalysts: Piperidine Solvents: Pyridine ; 22 h, 100 °C
2.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide ; 14 h, rt
2.2 Reagents: Sodium azide ; 3 h, rt
3.1 Reagents: Tributylamine Solvents: Diphenyl ether ; 45 min, 225 °C
4.1 Reagents: Phosphorus oxychloride ; 2.5 h, 135 °C
5.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 18 h, 150 °C

参考文献：

Discovery of thienopyridines as Src-family selective Lck inhibitors

Abbott, Lily; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1167-1171

合成路线：5 步

18791-75-8

141-82-2

799293-85-9

反应条件：

1.1 Catalysts: Piperidine Solvents: Pyridine ; 100 °C
2.1 Reagents: Triethylamine , Diphenylphosphoryl azide Solvents: Tetrahydrofuran ; rt
3.1 Solvents: Toluene ; 120 °C
3.2 Catalysts: Iodine Solvents: 1,2-Dichlorobenzene ; 170 °C
4.1 Reagents: Phosphorus oxychloride ; 120 °C
5.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 150 °C

参考文献：

Design and effective synthesis of novel templates, 3,7-diphenyl-4-amino-thieno and furo-[3,2-c]pyridines as protein kinase inhibitors and in vitro evaluation targeting angiogenetic kinases

Miyazaki, Yasushi; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(1), 250-254

合成路线：4 步

16694-17-0

22483-09-6

799293-85-9

反应条件：

1.1 Reagents: Thionyl chloride Solvents: Isopropyl acetate ; 18 h, 50 °C
1.2 Reagents: Diisopropylethylamine Solvents: Isopropyl acetate ; 1 h, rt
2.1 4 h, rt → 100 °C; 100 °C → 40 °C
2.2 Solvents: Water ; 15 min, 40 °C; 40 °C → 23 °C
3.1 Reagents: Phosphorus oxychloride ; 1 h, 75 °C; 75 °C → rt
3.2 Solvents: Dichloromethane , Water ; 25 °C
4.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 19 h, 300 psi, rt → 150 °C

参考文献：

Improved Synthesis of 3-Substituted-4-amino-[3,2-c]-thienopyridines

Engstrom, Kenneth M.; et al, Journal of Organic Chemistry, 2009, 74(10), 3849-3855

合成路线：6 步

98-03-3

799293-85-9

反应条件：

1.1 Reagents: Aluminum chloride , Bromine Solvents: Dichloromethane
2.1 Catalysts: Piperidine Solvents: Pyridine ; 22 h, 100 °C
3.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide ; 14 h, rt
3.2 Reagents: Sodium azide ; 3 h, rt
4.1 Reagents: Tributylamine Solvents: Diphenyl ether ; 45 min, 225 °C
5.1 Reagents: Phosphorus oxychloride ; 2.5 h, 135 °C
6.1 Reagents: Ammonia Solvents: 1,4-Dioxane , Water ; 18 h, 150 °C

参考文献：

Discovery of thienopyridines as Src-family selective Lck inhibitors

Abbott, Lily; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(5), 1167-1171