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MTTC

CAT: 0804-HY-114955-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114955-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MTTC is a 1,2,3-thiadiazole compound that exhibits mechanism-based inactivation, resulting in the inactivation of cytochrome P450 2E1 activity[1].
CAS Number
152467-47-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/mttc.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CSC2=C1N=NS2)OC
Molecular Formula
C6H4N2O2S2
Molecular Weight
200.24
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Babu BR, et al. 1,2,3-Thiadiazole: a novel heterocyclic heme ligand for the design of cytochrome P450 inhibitors. Biochemistry. 1997 Jun 10;36 (23) :7209-16.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methyl thieno[3,2-d]thiadiazole-6-carboxylate
CAS Number152467-47-5
PubChem CID851123
IUPAC Namemethyl thieno[3,2-d]thiadiazole-6-carboxylate
Molecular FormulaC6H4N2O2S2
Molecular Weight200.2
XLogP1.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity202
SMILES
COC(=O)C1=CSC2=C1N=NS2
InChI
InChI=1S/C6H4N2O2S2/c1-10-5(9)3-2-11-6-4(3)7-8-12-6/h2H,1H3
InChIKey
FMCBCIKSEQJAGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl thieno[3,2-d]thiadiazole-6-carboxylate
CAS: 152467-47-5
CID: 851123
Formula: C6H4N2O2S2
MW: 200.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass199.97141972
Monoisotopic Mass199.97141972
Topological Polar Surface Area109 Ų
Heavy Atom Count12
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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