PF-232798 fumarate | CAS#849753-20-4 | CCR5 antagonist

MedKoo Cat#: 125866 | Name: PF-232798 fumarate

Description:

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

PF-232798 is a second generation oral CCR5 antagonist. It has potent broad-spectrum anti-HIV-1 activity.

Chemical Structure

PF-232798 fumarate

CAS#849753-20-4 (fumarate)

Theoretical Analysis

MedKoo Cat#: 125866

Name: PF-232798 fumarate

CAS#: 849753-20-4 (fumarate)

Chemical Formula: C33H44FN5O6

Exact Mass: 625.3276

Molecular Weight: 625.74

Elemental Analysis: C, 63.34; H, 7.09; F, 3.04; N, 11.19; O, 15.34

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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Related CAS #

849753-15-7 (free base) 849753-20-4 (fumarate)

Synonym

PF-00232798 fumarate; PF-232798 fumarate; PF 232798 fumarate;

IUPAC/Chemical Name

N-((S)-1-(3-fluorophenyl)-3-((1R,3S,5S)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)propyl)acetamide fumarate

InChi Key

QLJWVEIOTDXIRX-YXFITVAVSA-N

InChi Code

InChI=1S/C29H40FN5O2.C4H4O4/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21;5-3(6)1-2-4(7)8/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36);1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-,24+,25+,26-;/m0./s1

SMILES Code

OC(=O)\C=C\C(O)=O.CC(C)C(=O)N1CCC2=C(C1)N=C(C)N2[C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)C5=CC=CC(F)=C5

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 625.74 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

1: Abrol R, Trzaskowski B, Goddard WA 3rd, Nesterov A, Olave I, Irons C. Ligand- and mutation-induced conformational selection in the CCR5 chemokine G protein-coupled receptor. Proc Natl Acad Sci U S A. 2014 Sep 9;111(36):13040-5. doi: 10.1073/pnas.1413216111. Epub 2014 Aug 25. PubMed PMID: 25157173; PubMed Central PMCID: PMC4246978. 2: Stupple PA, Batchelor DV, Corless M, Dorr PK, Ellis D, Fenwick DR, Galan SR, Jones RM, Mason HJ, Middleton DS, Perros M, Perruccio F, Platts MY, Pryde DC, Rodrigues D, Smith NN, Stephenson PT, Webster R, Westby M, Wood A. An imidazopiperidine series of CCR5 antagonists for the treatment of HIV: the discovery of N-{(1S)-1-(3-fluorophenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydr o-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamide (PF-232798). J Med Chem. 2011 Jan 13;54(1):67-77. doi: 10.1021/jm100978n. Epub 2010 Dec 3. PubMed PMID: 21128663. 3: Anti-HIV agents. Is PF-232798 a possible successor to maraviroc? TreatmentUpdate. 2008 Mar;20(2):8. PubMed PMID: 18661647.