82586-78-5 (尼扎替丁N-去甲基代谢物,Desmethyl Nizatidine)

快速询单

结构式：

尼扎替丁N-去甲基代谢物MOL文件

CAS号：

82586-78-5

中文名称：

尼扎替丁N-去甲基代谢物

英文名称：

Desmethyl Nizatidine

分子式：

C₁₁H₁₉N₅O₂S₂

分子量：

317.430858850479

API：

Nizatidine

尼扎替丁N-去甲基代谢物(82586-78-5)名称与标识符

名称

中文别名：

N-去甲基尼扎替丁;尼扎替丁N-去甲基代谢物;

英文别名：

Desmethyl Nizatidine;N-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine;N-desmethylnizatidine;N-Methyl-N'-[2-[[[2-[(MethylaMino)Methyl]-4-thiazolyl]Methyl]thio]ethyl]-2-nitro-1,1-ethenediaMine;N-Methyl-N′-[2-[[[2-[(methylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine (ACI);

标识符

InChIKey：

QDLSRAPBCBFIQC-UHFFFAOYSA-N

Inchi：

1S/C11H19N5O2S2/c1-12-5-11-15-9(8-20-11)7-19-4-3-14-10(13-2)6-16(17)18/h6,8,12-14H,3-5,7H2,1-2H3

SMILES：

[O-][N+](C=C(NCCSCC1=CSC(CNC)=N1)NC)=O

尼扎替丁N-去甲基代谢物(82586-78-5)物化性质

实验特性

LogP : 2.67620
PSA : 153.54000

计算特性

精确分子量 : 317.09800

尼扎替丁N-去甲基代谢物(82586-78-5)推荐厂家更多厂家(6)

公司名称	手机号/电话	联系人	QQ	询单
湖北瑞诺医药科技有限公司	13165688766	汪经理	3008058303	询单
湖北扬信医药科技有限公司	18071854684 0714-3999001	程舒畅	2885409691	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
深圳振强生物技术有限公司	13670046396 86-755-66853366	颜经理	2851296953	询单
上海柯维化学技术有限公司	18901607656 021-64609169	白荷	3428632096	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单

尼扎替丁N-去甲基代谢物(82586-78-5)合成路线

合成路线：1 步

1388137-36-7

_44%

82586-78-5

反应条件：

1.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：2 步

1388137-34-5

61832-41-5

82586-78-5

反应条件：

1.1 Solvents: Water ; 48 h, rt
2.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：3 步

1388137-32-3

156-57-0

82586-78-5

反应条件：

1.1 Reagents: Potassium hydroxide Solvents: Isopropanol ; 2 h, rt
2.1 Solvents: Water ; 48 h, rt
3.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：4 步

218944-58-2

534-07-6

82586-78-5

反应条件：

1.1 Reagents: Sodium carbonate Solvents: Toluene ; 14 h, 70 - 80 °C
2.1 Reagents: Potassium hydroxide Solvents: Isopropanol ; 2 h, rt
3.1 Solvents: Water ; 48 h, rt
4.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：5 步

94849-39-5

82586-78-5

反应条件：

1.1 Reagents: Phosphorus sulfide (P2S5) Solvents: 1,2-Dimethoxyethane ; rt
2.1 Reagents: Sodium carbonate Solvents: Toluene ; 14 h, 70 - 80 °C
3.1 Reagents: Potassium hydroxide Solvents: Isopropanol ; 2 h, rt
4.1 Solvents: Water ; 48 h, rt
5.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：6 步

13734-36-6

82586-78-5

反应条件：

1.1 Reagents: Ethyl chloroformate
1.2 Reagents: Ammonium hydroxide Solvents: Water
2.1 Reagents: Phosphorus sulfide (P2S5) Solvents: 1,2-Dimethoxyethane ; rt
3.1 Reagents: Sodium carbonate Solvents: Toluene ; 14 h, 70 - 80 °C
4.1 Reagents: Potassium hydroxide Solvents: Isopropanol ; 2 h, rt
5.1 Solvents: Water ; 48 h, rt
6.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：7 步

4530-20-5

74-88-4

82586-78-5

反应条件：

1.1 Reagents: Sodium hydride
2.1 Reagents: Ethyl chloroformate
2.2 Reagents: Ammonium hydroxide Solvents: Water
3.1 Reagents: Phosphorus sulfide (P2S5) Solvents: 1,2-Dimethoxyethane ; rt
4.1 Reagents: Sodium carbonate Solvents: Toluene ; 14 h, 70 - 80 °C
5.1 Reagents: Potassium hydroxide Solvents: Isopropanol ; 2 h, rt
6.1 Solvents: Water ; 48 h, rt
7.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127

合成路线：8 步

56-40-6

82586-78-5

反应条件：

1.1 -
2.1 Reagents: Sodium hydride
3.1 Reagents: Ethyl chloroformate
3.2 Reagents: Ammonium hydroxide Solvents: Water
4.1 Reagents: Phosphorus sulfide (P2S5) Solvents: 1,2-Dimethoxyethane ; rt
5.1 Reagents: Sodium carbonate Solvents: Toluene ; 14 h, 70 - 80 °C
6.1 Reagents: Potassium hydroxide Solvents: Isopropanol ; 2 h, rt
7.1 Solvents: Water ; 48 h, rt
8.1 Reagents: Hydrochloric acid, compd. with 2-propanol (1:1) Solvents: Isopropanol ; overnight, rt

参考文献：

An efficient total synthesis of N-2-mono-N-desmethyl Nizatidine

Reddy, Gaddam Naveen Chandra; et al, Chemistry & Biology Interface, 2011, 1(1), 123-127