MedKoo Cat#: 127753 | Name: ACP6-12

Description:

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

ACP6-12 is an ClpP activator and antibiotics. ACP6-12 exhibited over a 10-fold increase in activity over the parent ACP1-06 compound, and a cocrystal X-ray structure with ClpP confirmed its predicted binding conformation. This allowed for a comparative analysis of how different ligand classes bind to the hydrophobic binding site.

Chemical Structure

ACP6-12
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 127753

Name: ACP6-12

CAS#: N/A

Chemical Formula: C25H21F9N3O2PS

Exact Mass: 629.0948

Molecular Weight: 629.48

Elemental Analysis: C, 47.70; H, 3.36; F, 27.16; N, 6.68; O, 5.08; P, 4.92; S, 5.09

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
ACP6-12; ACP612; ACP6 12
IUPAC/Chemical Name
2-(bis(5-(trifluoromethyl)pyridin-2-yl)phosphoryl)-2-methyl-N-(2-((2-(trifluoromethyl)phenyl)thio)ethyl)propanamide
InChi Key
YZQNSGLJZOYKHY-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H21F9N3O2PS/c1-22(2,21(38)35-11-12-41-18-6-4-3-5-17(18)25(32,33)34)40(39,19-9-7-15(13-36-19)23(26,27)28)20-10-8-16(14-37-20)24(29,30)31/h3-10,13-14H,11-12H2,1-2H3,(H,35,38)
SMILES Code
O=P(C1=NC=C(C(F)(F)F)C=C1)(C(C)(C)C(NCCSC2=C(C(F)(F)F)C=CC=C2)=O)C3=NC=C(C(F)(F)F)C=C3
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

Preparing Stock Solutions

The following data is based on the product molecular weight 629.48 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
Lin F, Mabanglo MF, Zhou JL, Binepal G, Barghash MM, Wong KS, Gray-Owen SD, Batey RA, Houry WA. Structure-Based Design and Development of Phosphine Oxides as a Novel Chemotype for Antibiotics that Dysregulate Bacterial ClpP Proteases. J Med Chem. 2024 Sep 2. doi: 10.1021/acs.jmedchem.4c00773. Epub ahead of print. PMID: 39221504.