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PolQi2

CAT: 0804-HY-150279-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-150279-01Size:5 mg
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Description
PolQi2 is a PolΘ inhibitor that targets and inhibits alt-EJ (alternative end-joining) repair by inhibiting the helicase domain at the N-terminus of PolΘ. PolQi2 enhances the precision and integration efficiency of gene editing at different loci and in various cell lines. Furthermore, the combined use of PolQi2 with DNA-PK inhibitors reduces the off-target effects of Cas9. PolQi2 can be used in gene editing research[1][2].
CAS Number
2565638-16-4
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/polqi2.html
Purity
99.65
Solubility
DMSO : 70 mg/mL (ultrasonic)
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
Molecular Weight
453.90
References & Citations
[1]imberger S, et al. Simultaneous inhibition of DNA-PK and Polθ improves integration efficiency and precision of genome editing. Nat Commun. 2023 Aug 14;14 (1) :4761.|[2]Antoniou P, et al. Improved nuclease-based prime editing by DNA repair modulation and pegRNA engineering[J]. BioRxiv, 2024: 2024.02. 01.578377.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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