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DCN1-UBC12-IN-1

CAT: 0931-T63647-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63647-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2374827-31-1
Target
E1/E2/E3 Enzyme, Others
Related Pathways
Others, Ubiquitination
Bioactivity
DCN1-UBC12-IN-1 is a potent and specific DCN1-UBC12 inhibitor with an IC50 value of 2.86 nM and anti-cardiac fibrogenic activity.
Smiles
C(#N)C=1C(=NC(SCC2=CC=C(C)C=C2)=NC1SC=3N(C)N=NN3)C4=CC(OC)=C(OC)C(OC)=C4
Molecular Formula
C24H23N7O3S2
Molecular Weight
521.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dcn1-ubc12-IN-1
CAS Number2374827-31-1
PubChem CID163196274
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-4-(1-methyltetrazol-5-yl)sulfanyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
Molecular FormulaC24H23N7O3S2
Molecular Weight521.6
XLogP4.6
Topological Polar Surface Area171
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity724
SMILES
CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)SC3=NN=NN3C)C#N)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H23N7O3S2/c1-14-6-8-15(9-7-14)13-35-23-26-20(16-10-18(32-3)21(34-5)19(11-16)33-4)17(12-25)22(27-23)36-24-28-29-30-31(24)2/h6-11H,13H2,1-5H3
InChIKey
QXJYXXJWATXSKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dcn1-ubc12-IN-1
CAS: 2374827-31-1
CID: 163196274
Formula: C24H23N7O3S2
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass521.13037997
Monoisotopic Mass521.13037997
Topological Polar Surface Area171 Ų
Heavy Atom Count36
Formal Charge0
Complexity724
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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HY-142691DCN1-UBC12-IN-1
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HY-142692DCN1-UBC12-IN-3
313104-01DCN1-like Protein 1
GTR18008535DCN1 Antibody
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