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DCN1-UBC12-IN-2

CAT: 0931-T63820-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63820-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2374827-47-9
Target
E1/E2/E3 Enzyme, Others
Related Pathways
Ubiquitination, Others
Bioactivity
DCN1-UBC12-IN-2 is a potent and specific DCN1-UBC12 inhibitor with an IC50 value of 9.55 nM, targeting DCN1-UBC12 interactions and inhibiting Ang II-induced activation of cardiac fibroblasts.
Smiles
C(#N)C=1C(=NC(SCC2=CC=C(Cl)C=C2)=NC1SC=3N(C)N=NN3)C4=CC(OC)=C(OC)C(OC)=C4
Molecular Formula
C23H20ClN7O3S2
Molecular Weight
542.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((4-chlorobenzyl)thio)-4-((1-methyl-1H-tetrazol-5-yl)thio)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
CAS Number2374827-47-9
PubChem CID163196277
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-4-(1-methyltetrazol-5-yl)sulfanyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
Molecular FormulaC23H20ClN7O3S2
Molecular Weight542.0
XLogP4.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity730
SMILES
CN1C(=NN=N1)SC2=NC(=NC(=C2C#N)C3=CC(=C(C(=C3)OC)OC)OC)SCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H20ClN7O3S2/c1-31-23(28-29-30-31)36-21-16(11-25)19(14-9-17(32-2)20(34-4)18(10-14)33-3)26-22(27-21)35-12-13-5-7-15(24)8-6-13/h5-10H,12H2,1-4H3
InChIKey
ZKZPHQPTGZBOHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-chlorobenzyl)thio)-4-((1-methyl-1H-tetrazol-5-yl)thio)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
CAS: 2374827-47-9
CID: 163196277
Formula: C23H20ClN7O3S2
MW: 542.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.0
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass541.0757576
Monoisotopic Mass541.0757576
Topological Polar Surface Area171 Ų
Heavy Atom Count36
Formal Charge0
Complexity730
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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Alternative Products

CatalogName
GTR19184796-01DCN1-UBC12-IN-2
HY-W264347DCN1-UBC12-IN-4
HY-142692DCN1-UBC12-IN-3
HY-142691DCN1-UBC12-IN-1
HY-169026DCN1-IN-2
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