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KY386

CAT: 0931-T81967-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81967-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2787598-01-8
Target
Others, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
KY386 is a potent and selective DHX33 helicase inhibitor with an IC50 value of 19 nM. It demonstrates significant anti-cancer activity in DHX33-overexpressing U251-MG cell strain, achieving an IC50 of 20 nM, and exhibits moderate metabolic stability [1].
Smiles
N#CC=1C=C(SC1N2C(=CC(C(=O)NC3=NC=4C=CC(OC)=CC4N3)=C2C)C)C
Molecular Formula
C21H19N5O2S
Molecular Weight
405.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3-cyano-5-methylthiophen-2-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylpyrrole-3-carboxamide
CAS Number2787598-01-8
PubChem CID166058639
IUPAC Name1-(3-cyano-5-methylthiophen-2-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylpyrrole-3-carboxamide
Molecular FormulaC21H19N5O2S
Molecular Weight405.5
XLogP4
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity669
SMILES
CC1=CC(=C(N1C2=C(C=C(S2)C)C#N)C)C(=O)NC3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C21H19N5O2S/c1-11-7-16(13(3)26(11)20-14(10-22)8-12(2)29-20)19(27)25-21-23-17-6-5-15(28-4)9-18(17)24-21/h5-9H,1-4H3,(H2,23,24,25,27)
InChIKey
HGIMQJMGWCFYPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-cyano-5-methylthiophen-2-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylpyrrole-3-carboxamide
CAS: 2787598-01-8
CID: 166058639
Formula: C21H19N5O2S
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass405.12594604
Monoisotopic Mass405.12594604
Topological Polar Surface Area124 Ų
Heavy Atom Count29
Formal Charge0
Complexity669
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

Alternative Products

CatalogName
BA4020-10KY386

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