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AB25583

CAT: 0931-T200101-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T200101-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2565637-94-5
Target
DNA/RNA Synthesis, Others
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
AB25583 is a small molecule inhibitor of Polθ helicase (Polθ-hel) with an IC50 of 6 nM. It selectively kills cells deficient in BRCA1/2 and synergizes with Olaparib in cancer cells harboring pathogenic BRCA1/2 mutations. AB25583 can be utilized in tumor research.
Smiles
O=C(NC1=NN=C(OCC2=CC=C(Cl)C=C2)S1)C=3C=NC=CC3C=4C=CC=CC4OC
Molecular Formula
C22H17ClN4O3S
Molecular Weight
452.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[5-[(4-Chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-3-pyridinecarboxamide
CAS Number2565637-94-5
PubChem CID155342563
IUPAC NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.9
XLogP4.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity581
SMILES
COC1=CC=CC=C1C2=C(C=NC=C2)C(=O)NC3=NN=C(S3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN4O3S/c1-29-19-5-3-2-4-17(19)16-10-11-24-12-18(16)20(28)25-21-26-27-22(31-21)30-13-14-6-8-15(23)9-7-14/h2-12H,13H2,1H3,(H,25,26,28)
InChIKey
NKBJFGOHTSTLNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-[(4-Chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-3-pyridinecarboxamide
CAS: 2565637-94-5
CID: 155342563
Formula: C22H17ClN4O3S
MW: 452.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass452.0709893
Monoisotopic Mass452.0709893
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity581
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
C8571-10AB25583

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