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MedKoo Cat#: 525930 | Name: PF-03654746

Description:

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

PF-03654746 is a potent and selective histamine H3 receptor antagonist. It is undergoing clinical trials for the treatment of ADHD, Tourette syndrome as well as potential anti-allergy applications.

Chemical Structure

PF-03654746
CAS#935840-31-6

Theoretical Analysis

MedKoo Cat#: 525930

Name: PF-03654746

CAS#: 935840-31-6

Chemical Formula: C18H24F2N2O

Exact Mass: 322.1857

Molecular Weight: 322.40

Elemental Analysis: C, 67.06; H, 7.50; F, 11.79; N, 8.69; O, 4.96

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 #
1039399-17-1 (tosylate); 935840-31-6
Synonym
PF-03654746; PF 03654746; PF03654746; PF-3654746; PF 3654746; PF3654746;
IUPAC/Chemical Name
(1R,3R)-N-Ethyl-3-fluoro-3-(3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)cyclobutane-1-carboxamide
InChi Key
SXMBKHYDZOCBMT-PPUGGXLSSA-N
InChi Code
InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
SMILES Code
O=C([C@H]1C[C@](C2=CC=C(CN3CCCC3)C(F)=C2)(F)C1)NCC
Appearance
Solid powder
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 322.40 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
1: Sawant-Basak A, Chen L, Shaffer CL, Palumbo D, Schmidt A, Tseng E, Spracklin DK, Gallezot JD, Labaree D, Nabulsi N, Huang Y, Carson RE, McCarthy T. Quantitative projection of human brain penetration of the H(3) antagonist PF-03654746 by integrating rat-derived brain partitioning and PET receptor occupancy. Xenobiotica. 2016 Jun 29:1-8. [Epub ahead of print] PubMed PMID: 27353353. 2: Gallezot JD, Planeta B, Nabulsi N, Palumbo D, Li X, Liu J, Rowinski C, Chidsey K, Labaree D, Ropchan J, Lin SF, Sawant-Basak A, McCarthy TJ, Schmidt AW, Huang Y, Carson RE. Determination of receptor occupancy in the presence of mass dose: [11C]GSK189254 PET imaging of histamine H3 receptor occupancy by PF-03654746. J Cereb Blood Flow Metab. 2016 May 20. pii: 0271678X16650697. [Epub ahead of print] PubMed PMID: 27207170. 3: Stokes JR, Romero FA Jr, Allan RJ, Phillips PG, Hackman F, Misfeldt J, Casale TB. The effects of an H3 receptor antagonist (PF-03654746) with fexofenadine on reducing allergic rhinitis symptoms. J Allergy Clin Immunol. 2012 Feb;129(2):409-12, 412.e1-2. doi: 10.1016/j.jaci.2011.11.026. Epub 2011 Dec 22. PubMed PMID: 22196768. 4: Wager TT, Pettersen BA, Schmidt AW, Spracklin DK, Mente S, Butler TW, Howard H, Lettiere DJ, Rubitski DM, Wong DF, Nedza FM, Nelson FR, Rollema H, Raggon JW, Aubrecht J, Freeman JK, Marcek JM, Cianfrogna J, Cook KW, James LC, Chatman LA, Iredale PA, Banker MJ, Homiski ML, Munzner JB, Chandrasekaran RY. Discovery of two clinical histamine H(3) receptor antagonists: trans-N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl]cyclobutanecarbox amide (PF-03654746) and trans-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyc lobutanecarboxamide (PF-03654764). J Med Chem. 2011 Nov 10;54(21):7602-20. doi: 10.1021/jm200939b. Epub 2011 Oct 7. PubMed PMID: 21928839. 5: Brioni JD, Esbenshade TA, Garrison TR, Bitner SR, Cowart MD. Discovery of histamine H3 antagonists for the treatment of cognitive disorders and Alzheimer's disease. J Pharmacol Exp Ther. 2011 Jan;336(1):38-46. doi: 10.1124/jpet.110.166876. Epub 2010 Sep 23. Review. PubMed PMID: 20864505. 6: Bielory L. American Academy of Allergy, Asthma and Immunology (AAAAI)-2010 annual meeting. 26 February-2 March 2010, New Orleans, LA, USA. IDrugs. 2010 May;13(5):304-7. PubMed PMID: 20432184.