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KRM-III

CAT: 0931-T35885-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T35885-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79220-94-3
Target
Others
Related Pathways
Others
Purity
0.9997
Bioactivity
KRM-III is an orally active T cell antigen receptor (TCR) inhibitor with anti-inflammatory activity that potently inhibits TCR and myristate acetate/fosfomycin/ionomycin-induced NFAT nuclear factor activation and T cell proliferation, with an IC50 of approximately 5 μM.
Smiles
S=c1[nH]c(cn1-c1ccccc1)-c1ccccc1
Molecular Formula
C15H12N2S
Molecular Weight
252.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Krm-iii
CAS Number79220-94-3
PubChem CID736689
IUPAC Name3,5-diphenyl-1H-imidazole-2-thione
Molecular FormulaC15H12N2S
Molecular Weight252.3
XLogP3.1
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity338
SMILES
C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2S/c18-15-16-14(12-7-3-1-4-8-12)11-17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
InChIKey
QKOAQVKXZJFMET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Krm-iii
CAS: 79220-94-3
CID: 736689
Formula: C15H12N2S
MW: 252.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass252.07211956
Monoisotopic Mass252.07211956
Topological Polar Surface Area47.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity338
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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