POLQ-IN-2
POLQ-IN-2 is an orally active allosteric inhibitor of the DNA polymerase theta (POLQ) domain. POLQ-IN-2 has an IC50 < 0.003 μM against the human target. POLQ-IN-2 inhibits DNA polymerase activity and microhomology-mediated end joining (MMEJ), and shows selective antiproliferative activity in homologous recombination repair-deficient cells, with low activity in repair-proficient cells. POLQ-IN-2 enhances the antiproliferative activity of Olaparib (HY-10162) in homologous recombination repair-deficient cells, and its combination with Olaparib produces tumor regression in a BRCA2-deficient xenograft model. POLQ-IN-2 can be used for research on BRCA2-deficient colorectal cancer.
For research use only. We do not sell to patients.
- CAS No.: 3045467-32-8
- Formula: C29H33ClN6O2
- Molecular Weight:533.06
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
All DNA/RNA Synthesis Isoforms
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Biological Activity
Description
IC50 & Target
[1]|
Human pol θ < 0.003 μM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK-293T | IC50 |
0.10 μM
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Inhibition of POLQ-dependent microhomology-mediated end joining (MMEJ) pathway activity in human HEK293T cells assessed by Rational InDel Meta-Analysis (RIMA) assay.
Inhibition of POLQ-dependent microhomology-mediated end joining (MMEJ) pathway activity in human HEK293T cells assessed by Rational InDel Meta-Analysis (RIMA) assay.
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42911721 |
| DLD-1 | IC50 |
0.058 μM
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Antiproliferative activity against BRCA2−/− DLD-1 cells assessed as viability reduction by CellTitre Glo 3D after 12 days incubation.
Antiproliferative activity against BRCA2−/− DLD-1 cells assessed as viability reduction by CellTitre Glo 3D after 12 days incubation.
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42911721 |
| DLD-1 | IC50 |
3.9 μM
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Antiproliferative activity against wild-type DLD-1 cells assessed as viability reduction by CellTitre Glo 3D after 7 days incubation.
Antiproliferative activity against wild-type DLD-1 cells assessed as viability reduction by CellTitre Glo 3D after 7 days incubation.
|
42911721 |
| DLD-1 | IC50 |
8.9 μM
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Clonogenic survival inhibition against wild-type DLD-1 cells by clonogenic survival assay.
Clonogenic survival inhibition against wild-type DLD-1 cells by clonogenic survival assay.
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42911721 |
| DLD-1 | IC50 |
0.022 μM
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Clonogenic survival inhibition against BRCA2−/− DLD-1 cells by clonogenic survival assay.
Clonogenic survival inhibition against BRCA2−/− DLD-1 cells by clonogenic survival assay.
|
42911721 |
| SK-OV-3 | IC50 |
5.1 μM
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Clonogenic survival inhibition against wild-type SKOV3 cells by clonogenic survival assay.
Clonogenic survival inhibition against wild-type SKOV3 cells by clonogenic survival assay.
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42911721 |
| SK-OV-3 | IC50 |
0.181 μM
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Clonogenic survival inhibition against BRCA2-knockout SKOV3 cells by clonogenic survival assay.
Clonogenic survival inhibition against BRCA2-knockout SKOV3 cells by clonogenic survival assay.
|
42911721 |
In Vitro
POLQ-IN-2 (7-14 day dose range) selectively reduces clonogenic survival of HRR-deficient DLD-1 BRCA2-/-, SKOV3 BRCA2 KO, SKOV3 PALB2 KO, and SNU601 cells, with an IC50 of 0.022 µM in DLD-1 BRCA2-/- versus 8.9 µM in DLD-1 WT[1].
POLQ-IN-2 (7-14 day dose range) combined with Olaparib produces higher HSA synergy scores in HRR-deficient models, such as Capan-1 (74.10) and MDA-MB-436 RAD51B LacZ (62.03), while the scores are lower in HRR-proficient controls, such as SKOV3 WT (0.34) and MDA-MB-436 RAD51B + BRCA1 WT (3.28)[1].
POLQ-IN-2 (100 μM) shows much higher selectivity for POLQ than for DNA polymerases α, γ, η, and ν[1].
POLQ-IN-2 inhibits POLQ-dependent MMEJ pathway activity in HEK293T cells with an IC50 of 0.10 μM[1].
POLQ-IN-2 exhibits specific antiproliferative activity in the HRR-deficient background, with an IC50 of 0.022 μM in DLD-1 BRCA2−/− and 0.015 μM in SNU601[1].
POLQ-IN-2 (0-10000 nM; Olaparib 1-100 nM) exhibits synergy with Olaparib in SKOV3 PALB2 KO cells (HSA synergy score 31.17), whereas no synergy occurs in SKOV3 WT cells (score 0)[1].
POLQ-IN-2 is a potent inhibitor of the POLQ polymerase domain, with pIC50 > 8.5[1].
POLQ-IN-2 shows higher potency in BRCA2-/- DLD-1 cells (pIC50 = 7.24) than in WT DLD-1 cells (pIC50 = 5.41)[1].
POLQ-IN-2 (1 µM AZD7648 (HY-111783) and multiple concentrations, 24-72 h) inhibits MMEJ in HEK293T cells with a pIC50 of 6.98[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:BRCA2−/− DLD-1 xenograft model[1]
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Dosage:75 mg/kg BID
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Administration:oral gavage; BID
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Result:Monotherapy at 75 mg/kg BID produced 56% tumor growth inhibition.
In combination with olaparib, 75 mg/kg BID produced 85% tumor regression.
Chemical Information
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CAS No. 3045467-32-8
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Molecular Weight 533.06
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Formula C29H33ClN6O2
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SMILES
CC1(OC2=C3N=C(C4=CC=C(OCCN5CCN(C)CC5)C=C4Cl)N(CC6=CC=CC=C6)C3=NC=N2)CC1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)