CID 13783814

Base Information

• Chemical Name: CID 13783814
• CAS No.: 21259-20-1
• Molecular Formula: C₂₄H₃₄O₉
• Molecular Weight: 466.529
• Hs Code.: 29329990
• Metabolomics Workbench ID: 123592
• NCI Thesaurus Code: C163706
• Mol file: 21259-20-1.mol

Synonyms:Fusariotoxin;Fusaritoxin;T 2 Toxin;T-2 Toxin;T-2 Toxin, alpha,4 beta-Isomer;T2 Toxin;Toxin, T-2;Toxin, T2

Chemical Property of CID 13783814

Chemical Property:

• Vapor Pressure: 3.82E-14mmHg at 25°C
• Melting Point: 151.5℃
• Refractive Index: 1.546
• Boiling Point: 544.9°C at 760 mmHg
• PKA: 13.24±0.70(Predicted)
• Flash Point: 2 °C
• PSA: 120.89000
• Density: 1.28g/cm³
• LogP: 1.69270
• Storage Temp.: −20°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 466.22028266
• Heavy Atom Count: 33
• Complexity: 881

Purity/Quality:

98%,99%, ^*data from raw suppliers

T-2 Toxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,T,Xn,F
• Hazard Codes: T+,T,Xn,F
• Statements: 26/27/28-38-36-20/21/22-11
• Safety Statements: 28-36/37-45-36-26-16-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
• Isomeric SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
• Description: T-2 toxin is a trichothecene mycotoxin that has been found in Fusarium. It binds to and inhibits peptidyltransferase in the 60S ribosomal subunit, inducing a ribotoxic stress response that triggers JNK and p38 MAPK signaling. T-2 toxin (3 nM) decreases toll-like receptor expression and LPS-induced production of IL-1β, TNF-α, and nitric oxide (NO) in, and is cytotoxic to (IC50 = 19.47), primary pig alveolar macrophages (PAMs). In vivo, T-2 toxin induces production of reactive oxygen species (ROS), lipid peroxidation, and glutathione (GSH) depletion in mouse brain and is lethal to mice (LD50s = 1.54-5.94 mg/kg). It also induces hepatocyte apoptosis and dyslipidemias in mice. T-2 toxin has been found in Fusarium-infected wheat, barley, and rice crops both in fields and in storage.
• Uses: T-2 Toxin is a tricothecene mycotoxin produced by fungi of the genus Fusarium. T-2 Toxin induces DNA damage and cell death on prolonged administration.