CAS 298-83-9|2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium dichloride|nit...

基本信息

化学结构

分子式

C₄₀H₃₀Cl₂N₁₀O₆

分子量

817.6356

精确质量

816.17268409

电荷

InChI

InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2

InChIKey

FSVCQIDHPKZJSO-UHFFFAOYSA-L

Canonic Smiles

COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1.[Cl-].[Cl-]

Isomeric Smiles

[Cl-].[Cl-].COc1c(ccc(c1)c1cc(OC)c(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

计算属性

JChem

LogD (pH = 7.4)

4.42

LogD (pH = 5.5)

4.42

Log P

4.42

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

false

Acid pKa

-2.70

极化表面积

173.92

极化性

78.32

摩尔折射率

273.25

数据来源

名称和标识

IUPAC传统名

nitro blue tetrazolium(2+) dichloride 2-{3,3'-dimethoxy-4'-[3-(4-nitrophenyl)-5-phenyl-1,2lambda5,3,4-tetrazol-2-ylium-2-yl]-[1,1'-biphenyl]-4-yl}-3-(4-nitrophenyl)-5-phenyl-1,2lambda5,3,4-tetrazol-2-ylium dichloride

别名

p-NITRO BLUE TETRAZOLIUM CHLORIDE3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)-bis-(2-p-nitrophenyl)-5-(phenyl)-2H-tetrazolium chloridep-NITRO BTNitro blue tetrazolium chlorideNitro Blue TetrazoliumNitrotetrazolium Blue Chloride3,3′-(3,3′-Dimethoxy-4,4′-biphenylene)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride]NBTp-Nitrotetrazolium bluep-Nitro-Blue tetrazolium chloride2,2′-bis(4-Nitrophenyl)-5,5′-diphenyl-3,3′-(3,3′-dimethoxy-4,4′-diphenylene)ditetrazolium chlorideNitro BTNBT VialsNitrotetrazolium Blue chlorideNitro Blue Tetrazolium chloride氯化硝基四氮唑兰单水合物nitro blue tetrazolium dichlorideNBTp-nitro blue tetrazolium chlorideNitro blue tetrazolium5,5'-diphenyl-3,3'-bis(4-nitrophenyl)-2,2'-(3,3'-dimethoxybiphenyl-4,4'-ylene)ditetrazolium dichlorideNitro Blue tetrazolium chloride2,2'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride3,3'-[3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl]bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium] dichlorideNitroblue tetrazolium chloride

IUPAC标准名

2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium dichloride 2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium dichloride 2-{3,3'-dimethoxy-4'-[3-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium-2-yl]-[1,1'-biphenyl]-4-yl}-3-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium dichloride

名称和标识

数据登录号

EC号

CHEBI ID

PubChem CID

CAS号

CHEMBL

Chemspider ID

维基百科标题

Nitro_blue_tetrazolium_chloride

MDL号

MFCD00012159MFCD00150013

PubChem SID

248977391620885952488663424888166248977862489779511533862

Beilstein号

4115923

CompTox数据库

DTXSID6046719

BRENDA数据库

1.17.3.31.1.99.271.1.2.53.1.3.11.8.1.4

SABIO-RK数据库

1012914163

UniProt数据库

Q13642Q3KNK3Q6AY12Q6BCY4Q60049

KEGG DRUG Database

D02003

ACToR数据库

121287-37-4298-83-938184-50-8

KEGG ID

BKMS React数据库

SureChEMBL数据库

BRENDA Ligand数据库

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

02100416

Lemon-yellow crystals
Enzyme substrate and precipitating agent for fibrinogen

05205725

MP Biomedicals Rare Chemical collection

02193999

Molecular Biology Reagent
Ideal for alkaline phosphatase conjugate detection in nucleic acid probe detection systems.

Wikipedia

Nitro_blue_tetrazolium_chloride

Sigma Aldrich

N5514

Quantity
Contains 10 mg substrate per tablet.
Specificity
Nitro Blue Tetrazolium is used in conjunction with the alkaline phosphatase substrate 5-Bromo-4-Chloro-3-Indolyl Phosphate (BCIP) Tablets (Sigma Product No. B0274) in immunoblotting and immunohistological staining procedures. This substrate system produces an insoluble end product that is blue-purple in color and can be observed visually.

84010

Components
The composition of the NBT in the vials is Nitroblue tetrazolium, 1 mg, lyophilized, with phosphate buffer and sodium chloride.
Application
The vials are a component in the Sigma Nitroblue Tetrazolium (NBT) Reduction, Procedure 840.

74030

Other Notes
Enzyme substrate e.g. for the determination of glucose-6-phosphate dehydrogenase1; Precipitating agent for fibrinogen2

N6876

包装
1, 5 g in glass bottle
10×10, 50, 100, 250, 500 mg in glass bottle
Substrates
Substrate for dehydrogenases1 and other oxidases.2

N6639

Application
In combination with 5-Bromo-4-chloro-3-indolyl phosphate (BCIP) and an appropriate reaction buffer, Nitroblue tetrazolium forms a substrate for the colorimetric detection of alkaline phosphatase conjugates in a variety of molecular and cell biology techniques.
包装
1 g in glass bottle
25, 50, 250 mg in glass bottle

ChEBI

CHEBI:9505

An organic chloride salt having nitro blue tetrazolium(2+) as the counterion.

描述信息

参考文献

PubChem文献

数据源提供

• Substrate for determination of various enzymes.

参考文献

生物活性

PubChem BioAssay

生物活性