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...

General Information

Structure

Molecular Formula

C₄₀H₃₀Cl₂N₁₀O₆

Molecular Mass

817.6356

Exact Mass

816.17268409

Charge

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

Calculated Properties

JChem

LogD (pH = 7.4)

4.42

LogD (pH = 5.5)

4.42

Log P

4.42

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

-2.70

Polar Surface Area

173.92

Polarizability

78.32

Molar Refractivity

273.25

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

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

Synonyms

3,3'-(3,3'-Dimethoxy-4,4'-biphenylene)-bis-(2-p-nitrophenyl)-5-(phenyl)-2H-tetrazolium chloridep-NITRO BLUE TETRAZOLIUM CHLORIDEp-NITRO BTNitro blue tetrazolium chlorideNitro Blue TetrazoliumNitrotetrazolium Blue ChlorideNBT3,3′-(3,3′-Dimethoxy-4,4′-biphenylene)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride]p-Nitrotetrazolium bluep-Nitro-Blue tetrazolium chlorideNitro BT2,2′-bis(4-Nitrophenyl)-5,5′-diphenyl-3,3′-(3,3′-dimethoxy-4,4′-diphenylene)ditetrazolium chlorideNBT VialsNitrotetrazolium Blue chloride氯化硝基四氮唑兰单水合物Nitro Blue Tetrazolium chlorideNitroblue tetrazolium chloride2,2'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichlorideNBTnitro blue tetrazolium dichlorideNitro blue tetrazolium3,3'-[3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl]bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium] dichlorideNitro Blue tetrazolium chloridep-nitro blue tetrazolium chloride5,5'-diphenyl-3,3'-bis(4-nitrophenyl)-2,2'-(3,3'-dimethoxybiphenyl-4,4'-ylene)ditetrazolium dichloride

Names and Identifiers

Registration numbers

EC Number

CHEBI ID

PubChem CID

CAS Number

CHEMBL

Chemspider ID

Wikipedia Title

Nitro_blue_tetrazolium_chloride

MDL Number

MFCD00012159MFCD00150013

PubChem SID

248977391620885952488663424888166248977862489779511533862

Beilstein Number

4115923

CompTox Database

DTXSID6046719

BRENDA Database

1.17.3.31.1.99.271.1.2.53.1.3.11.8.1.4

SABIO-RK Database

1012914163

UniProt Database

Q13642Q3KNK3Q6AY12Q6BCY4Q60049

KEGG DRUG Database

D02003

ACToR Database

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

KEGG ID

C13503

BKMS React Database

55476

SureChEMBL Database

SCHEMBL5837354

BRENDA Ligand Database

55476

Registration numbers

Properties

Product Information

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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

Packaging
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.
Packaging
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.

Molecule Details

References

PubChem Literature

From Data Sources

• Substrate for determination of various enzymes.

References

Bioactivity

PubChem BioAssay

Bioactivity