2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt, sodium salt (1:1)
Basic information
- CAS
111072-31-2- Standard SMILES
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC.[Na]- InChIKey
FPEHPQATUMDNDY-UHFFFAOYSA-N- Molecular formula
- C22H17N7NaO13S2
- Average molar mass
- 674.5 g/mol
- Monoisotopic mass
- 674.02234525
Names & identifiers
- Preferred name
- 2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt, sodium salt (1:1)
- English name
- XTT sodium salt
- Molecular formula
- C22H18N7NaO13S2
- Molecular weight
- 674.53
Names & synonyms
2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt, sodium salt (1:1)FPEHPQATUMDNDY-UHFFFAOYSA-NXTT50mgxttsodiumXII SODIUMXTT sodium saltTetrazolium XTTXTT sodiun saltXTT SODIUM SALT 90%XTT sodiuM saltXTT sodiuXtt (tetrazolium Derivative)
Database identifiers
- CAS
111072-31-2- PubChem CID
- 6330601
Properties
Computed structural properties
- Topological polar surface area
- 302 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- Melting point
- 285 ℃ · 285 ℃ (decompose)
- storage temp.
- 2 · 2-8°C
- solubility
- 2.5 mg/mL · hot water: 2.5 mg/mL
- form
- powder
- color
- Yellow
- Water Solubility
- 2.5 mg/ml.Soluble · Soluble in hot water at 2.5mg/ml.Soluble in water, dimethyl sulfoxide, dimethyl formamide and phosphate buffered saline.at pH =7.2.
- λmax
- 286 nm · 286 nm
- Biological Applications
- Cell proliferation assays; cytotoxicity assays; ecotoxicity assays; neurotoxicity assays; antimicrobial susceptibility testing assays; antifungal susceptibility testing assays; cardiac valve viability assays; cell viability assay
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChIKey
- JWAINSLAKSCRSR-UHFFFAOYSA-N
- SMILES
- O(C1C=C(N(=O)=O)C(S(O)(=O)=O)=CC=1N1N=C(C(=O)NC2C=CC=CC=2)N=[N+]1C1C=C(S([O-])(=O)=O)C(N(=O)=O)=CC=1OC)C.[NaH]
- CAS DataBase Reference
- 111072 · 111072-31-2(CAS DataBase Reference)
- UNSPSC Code
- 41116107 · 41116107
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 4.1A - Other explosive hazardous materials
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Self-react. C
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesTetrazolium derivative useful in cancer research.XTT sodium salt is used in conjunction with phenazine methosulfate to screen human cancer cell lines. It is also used to study fungal cell damage. It is involved in testing antimicrobial susceptibility of staphylococci and in candida biofilm research. Further, it is used in an assay for cell viability and cell proliferation.
UsesUseful in AIDS and cancer testing.
General DescriptionXTT (sodium 3′-[1-[(phenylamino)-carbony]-3,4-tetrazolium]-bis(4-methoxy-6-nitro)benzene-sulfonic acid hydrate) is a tetrazolium salt, which forms water-soluble formazan on bioreduction.
Related reactions
0 records
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Compound notes
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