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PolQi2

CAT: 0957-E6541-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E6541-100mgSize:100 mg
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CAS Number
2565638-16-4
Target
DNA/RNA Synthesis
Applications
Cell Cycle
Smiles
O=C (C1=CC=NC=C1C2=C (OC) C=CC=C2) NC3=NN=C (S3) OCC4=NC=C (C=C4) Cl
Molecular Formula
C21H16ClN5O3S
Additionnal Information
PolQi2 is a PolΘ inhibitor that specifically targets the N-terminal helicase domain of PolΘ, thereby suppressing alt-EJ (alternative end-joining) repair. This compound improves the accuracy and integration efficiency of gene editing across multiple loci and diverse cell lines. Additionally, PolQi2 demonstrates synergistic effects with DNA-PK inhibitors in reducing Cas9-mediated off-target activity. Its application is suitable for gene editing studies.

Chemical Information

PolQi2
CAS Number2565638-16-4
PubChem CID155353937
IUPAC NameN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
Molecular FormulaC21H16ClN5O3S
Molecular Weight453.9
XLogP3.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity591
SMILES
COC1=CC=CC=C1C2=C(C=CN=C2)C(=O)NC3=NN=C(S3)OCC4=NC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClN5O3S/c1-29-18-5-3-2-4-15(18)17-11-23-9-8-16(17)19(28)25-20-26-27-21(31-20)30-12-14-7-6-13(22)10-24-14/h2-11H,12H2,1H3,(H,25,26,28)
InChIKey
REZMONWROTVQHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PolQi2
CAS: 2565638-16-4
CID: 155353937
Formula: C21H16ClN5O3S
MW: 453.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass453.0662383
Monoisotopic Mass453.0662383
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity591
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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