WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130091
CAS#: 2607138-82-7
Description: ART812 is a Polθ inhibitor. Polθ is vital for microhomology-mediated DNA double strand break repair, which provides an opportune target for treating BRCA deficient and other cancers resulting from a defective DNA repair pathway. ART812 is currently undergoing clinical trials for use against HR-deficient tumors.
Hodoodo Cat#: H130091
Name: ART812
CAS#: 2607138-82-7
Chemical Formula: C19H16ClF4N3O4
Exact Mass: 461.08
Molecular Weight: 461.800
Elemental Analysis: C, 49.42; H, 3.49; Cl, 7.68; F, 16.46; N, 9.10; O, 13.86
Synonym: ART812; ART-812; ART 812
IUPAC/Chemical Name: (2S,3S,4S)-N-(3-Chloro-4-fluorophenyl)-3,4-dihydroxy-N-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-5-oxopyrrolidine-2-carboxamide
InChi Key: YJJOABOMFPGRED-JYJNAYRXSA-N
InChi Code: InChI=1S/C19H16ClF4N3O4/c1-8-5-9(19(22,23)24)6-13(25-8)27-14(15(28)16(29)18(27)31)17(30)26(2)10-3-4-12(21)11(20)7-10/h3-7,14-16,28-29H,1-2H3/t14-,15-,16-/m0/s1
SMILES Code: O=C([C@H]([C@H](O)[C@@H]1O)N(C2=NC(C)=CC(C(F)(F)F)=C2)C1=O)N(C3=CC=C(F)C(Cl)=C3)C
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 461.80 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1. Stockley ML, Ferdinand A, Benedetti G, Blencowe P, Boyd SM, Calder M, Charles MD, Edwardes LV, Ekwuru T, Finch H, Galbiati A, Geo L, Grande D, Grinkevich V, Holliday ND, Krajewski WW, MacDonald E, Majithiya JB, McCarron H, McWhirter CL, Patel V, Pedder C, Rajendra E, Ranzani M, Rigoreau LJM, Robinson HMR, Schaedler T, Sirina J, Smith GCM, Swarbrick ME, Turnbull AP, Willis S, Heald RA. Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta. J Med Chem. 2022 Oct 27;65(20):13879-13891. doi: 10.1021/acs.jmedchem.2c01142. Epub 2022 Oct 6. PMID: 36200480.
2. Barszczewska-Pietraszek G, Drzewiecka M, Czarny P, Skorski T, Śliwiński T. Polθ Inhibition: An Anticancer Therapy for HR-Deficient Tumours. Int J Mol Sci. 2022 Dec 24;24(1):319. doi: 10.3390/ijms24010319. PMID: 36613762; PMCID: PMC9820168.
