CID 6330601

Base Information

• Chemical Name: CID 6330601
• CAS No.: 111072-31-2
• Molecular Formula: C22H16N7NaO13S2
• Molecular Weight: 673.53
• Hs Code.: 29339900
• Mol file: 111072-31-2.mol

Synonyms:

Chemical Property of CID 6330601

Chemical Property:

• Appearance/Colour: powder
• Melting Point: 41678oC
• PSA: 305.17000
• LogP: 3.37520
• Storage Temp.: 2-8°C
• Solubility.: hot water: 2.5 mg/mL
• Water Solubility.: Soluble in hot water at 2.5mg/ml.Soluble in water, dimethyl sulfoxide, dimethyl formamide and phosphate buffered saline.at pH =7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 674.02234525
• Heavy Atom Count: 45
• Complexity: 1260

Purity/Quality:

99%min , ^*data from raw suppliers

XTT sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• 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]
• Uses: Tetrazolium 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. Useful in AIDS and cancer testing.

Technology Process of CID 6330601

There total 1 articles about CID 6330601 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 27.0%

3,3'-<<3-(phenylamino)carbonyl>-1,5-formazandiyl>bis(4-methoxy-6-nitro)benzenesulfonic acid disodium salt (70709-61-4) → sodium 3,3'-<1-<(phenylamino)carbonyl>-3,4-tetrazolium>-bis(4-methoxy-6-nitro)benzenesulfonic acid (111072-31-2)

Guidance literature:

With sodium hypochlorite; In water; at 18 ℃; for 0.5h;

Reference yield:

sodium 3,3'-<1-<(phenylamino)carbonyl>-3,4-tetrazolium>-bis(4-methoxy-6-nitro)benzenesulfonic acid (111072-31-2) → 3,3'-<<3-(phenylamino)carbonyl>-1,5-formazandiyl>bis(4-methoxy-6-nitro)benzenesulfonic acid disodium salt (70709-61-4)

Guidance literature:

With sodium hydrogencarbonate; ascorbic acid; In water; for 1.5h; Ambient temperature;

upstream raw materials:

3,3'-<<3-(phenylamino)carbonyl>-1,5-formazandiyl>bis(4-methoxy-6-nitro)benzenesulfonic acid disodium salt

Downstream raw materials:

3,3'-<<3-(phenylamino)carbonyl>-1,5-formazandiyl>bis(4-methoxy-6-nitro)benzenesulfonic acid disodium salt

Refernces