MedKoo Cat#: 126357 | Name: RP-6685 HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

RP-6685 HCl
RP-6685 HCl
CAS#RP-6685 HCl

Theoretical Analysis

MedKoo Cat#: 126357

Name: RP-6685 HCl

CAS#: RP-6685 HCl

Chemical Formula: C22H16Cl2F7N5O

Exact Mass: 497.1087

Molecular Weight: 570.29

Elemental Analysis: C, 46.33; H, 2.83; Cl, 12.43; F, 23.32; N, 12.28; O, 2.81

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
RP-6685 HCl; RP-6685 dihychloride, RP-6685; RP 6685; RP6685;
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 dihydrochloride
InChi Key
SRUWNAQPOYQICD-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H14F7N5O.2ClH/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);2*1H
SMILES Code
O=C(N(CC#CC1=NN=C(N)C=C1)C2=CC=C(F)C=C2)CC3=NC=C(C(F)(F)F)C=C3C(F)(F)F.[H]Cl.[H]Cl
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.

Preparing Stock Solutions

The following data is based on the product molecular weight 570.29 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.

Recalculate based on batch purity %
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