XTT sodium salt - ≥90% , CAS No.111072-31-2

CAS: 111072-31-2 Cat. No.: X100982 Molecular Weight: 673.52 EC Number: 601-039-1 PubChem CID: 14195569

GRADE & PURITY ≥90%

Synonyms

2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide inner salt | sodium 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-2h-tetrazolium-5-carboxanilide inner salt | sodium 3,3'-(1-(phenylamino)carbonyl)-3,4-tetrazolium-bis(4-methoxy-6-nitro)be

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

 XTT (sodium) is used to assess cell viability as a function of redox potential. Actively respiring cells convert the water-soluble XTT to a water-soluble, orange colored formazan product.

Application
XTT has been used in conjunction with phenazine methosulfate (PMS) to screen human cancer cell lines. The tetrazolium dye has also been used to study fungal cell damage, in testing antimicrobial susceptibility of staphylococci, and in Candida biofilm research. Limitations to the XTT assay have been reported.
Useful in AIDS and cancer testing. 

Specifications

Synonyms

2, 3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide inner salt | sodium 2, 3-bis(2-methoxy-4-nitro-5-sulfophenyl)-2h-tetrazolium-5-carboxanilide inner salt | sodium 3, 3'-(1-(phenylamino)carbonyl)-3, 4-tetrazolium-bis(4-methoxy-6-nitro)be

Specifications & Purity

≥90%

Biochemical and Physiological Mechanisms

In living cells, XTT is metabolically reduced to produce a colorimetric, water-soluble formazan product.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
• IUPAC Name: sodium;4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate
• InChIKey: JACYMBNQPPWQML-UHFFFAOYSA-M
• INCHI: 1S/C22H17N7O13S2.Na/c1-41-17-8-15(28(31)32)19(43(35,36)37)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(44(38,39)40)16(29(33)34)9-18(14)42-2;/h3-11H,1-2H3,(H2-,23,30,35,36,37,38,39,40);/q;+1/p-1
• Isomeric SMILES: COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 14195569
• Molecular Weight: 673.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Nitrophenyl ethers Phenyltetrazoles and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles 2-heteroaryl carboxamides Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Organosulfonic acids Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic sodium salts Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Nitrophenyl ether - Phenyltetrazole - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Nitrobenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Organic sulfonic acid or derivatives - Tetrazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in hot water at 2.5mg/ml.Soluble in water, dimethyl sulfoxide, dimethyl formamide and phosphate buffered saline.at pH =7.2.
• Sensitivity: Moisture sensitive
• Molecular Weight: 673.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 673.015 Da
• Monoisotopic Mass: 673.015 Da
• Topological Polar Surface Area: 305.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Ivan Sazykin, Ekaterina Naumova, Tatiana Azhogina, Maria Klimova, Shorena Karchava, Ludmila Khmelevtsova, Elena Chernyshenko, Alla Litsevich, Margarita Khammami, Marina Sazykina.  (2023)  Glyphosate effect on biofilms formation, mutagenesis and stress response of E. сoli.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37748310] [10.1016/j.jhazmat.2023.132574]

2. Qingyang Dai, Kecheng Zhu, Yongliang Xu, Yixuan Liu, Yuanren Jiang, Chenghe Yan, Chi Zhang, Hanzhong Jia.  (2025)  Boosting molecular oxygen activation through synergistic interaction of boron-doped biochar and ascorbic acid: Key role of BC2O and BC3.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159827]

3. Zekun Dong, Jiao Yang, Jie Yao, Yu Tang, Yan Zhang.  (2025)  Fe-based layered double hydroxides carbon cathode modulates oxygen reduction pathways and HO formation mechanism in electro-peroxone system.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132212]

4. Zibei Wu, Xufeng Zhang, Lili Wang, Jinlei Sui, Mingqi Yu, Bingzhangke Bao, Jianing Qian, Guohui Yi, Yinzheng Ma, Xiaowen He.  (2025)  Antimicrobial and anti-biofilm activity of essential oils extracted from Clausena lansium (Lour.) Skeels and their main constituents against Streptococcus mutans.  Frontiers in Microbiology,      [PMID:40950592] [10.3389/fmicb.2025.1612681]

5. Jie Liu, Youzhi Li, Kairuo Yan, Jinghua Han, Ziqi Wu, Ying Li.  (2025)  Exploring Reductive Stress as a Regulation Approach for Pseudomonas Aeruginosa Biofilm.  iScience,      [PMID:41362616] [10.1016/j.isci.2025.113973]