WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H121118
CAS#: 2832047-80-8 (free base)
Description: RP-6685 is a potent, selective, and orally bioavailable Polθ inhibitor that showed in vivo efficacy in an HCT116 BRCA2−/− mouse tumor xenograft model. RP-6685 was extremely potent with an IC50 of 550 pM against the pol activity of full-length Polθ and inactive on the ATPase activity. RP-6685 displayed a favorable PK profile with good oral bioavailability in mouse.
Hodoodo Cat#: H121118
Name: RP-6685 free base
CAS#: 2832047-80-8 (free base)
Chemical Formula: C22H14F7N5O
Exact Mass: 497.11
Molecular Weight: 497.380
Elemental Analysis: C, 53.13; H, 2.84; F, 26.74; N, 14.08; O, 3.22
Related CAS #: RP-6685 HCl 2832047-80-8 (free base)
Synonym: RP-6685; RP6685; RP 6685
IUPAC/Chemical Name: N-(3-(6-aminopyridazin-3-yl)prop-2-yn-1-yl)-2-(3,5-bis(trifluoromethyl)pyridin-2-yl)-N-(4-fluorophenyl)acetamide
InChi Key: LHFFKHVGAKIDNO-UHFFFAOYSA-N
InChi Code: InChI=1S/C22H14F7N5O/c23-14-3-6-16(7-4-14)34(9-1-2-15-5-8-19(30)33-32-15)20(35)11-18-17(22(27,28)29)10-13(12-31-18)21(24,25)26/h3-8,10,12H,9,11H2,(H2,30,33)
SMILES Code: FC(F)(F)C1=CN=C(CC(N(C2=CC=C(F)C=C2)CC#CC3=NN=C(N)C=C3)=O)C(C(F)(F)F)=C1
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: DNA polymerase theta (Polθ) is an attractive synthetic lethal target for drug discovery, predicted to be efficacious against breast and ovarian cancers harboring BRCA-mutant alleles.
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| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 497.38 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: |
Bubenik M, Mader P, Mochirian P, Vallée F, Clark J, Truchon JF, Perryman AL, Pau V, Kurinov I, Zahn KE, Leclaire ME, Papp R, Mathieu MC, Hamel M, Duffy NM, Godbout C, Casas-Selves M, Falgueyret JP, Baruah PS, Nicolas O, Stocco R, Poirier H, Martino G, Fortin AB, Roulston A, Chefson A, Dorich S, St-Onge M, Patel P, Pellerin C, Ciblat S, Pinter T, Barabé F, El Bakkouri M, Parikh P, Gervais C, Sfeir A, Mamane Y, Morris SJ, Black WC, Sicheri F, Gallant M. Identification of RP-6685, an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Polθ. J Med Chem. 2022 Sep 20. doi: 10.1021/acs.jmedchem.2c00998. Epub ahead of print. PMID: 36126059.
