MedKoo Cat#: 471153 | Name: PF-03654746 Tosylate
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Description:

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

PF-03654746 Tosylate 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 Tosylate
CAS#1039399-17-1 (tosylate)

Theoretical Analysis

MedKoo Cat#: 471153

Name: PF-03654746 Tosylate

CAS#: 1039399-17-1 (tosylate)

Chemical Formula: C25H32F2N2O4S

Exact Mass: 0.0000

Molecular Weight: 494.60

Elemental Analysis: C, 60.71; H, 6.52; F, 7.68; N, 5.66; O, 12.94; S, 6.48

Price and Availability

Size Price Availability Quantity
2mg USD 500.00 2 Weeks
5mg USD 715.00 2 Weeks
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Related CAS #
1039399-17-1 (tosylate); 935840-31-6
Synonym
PF-03654746 Tosylate; PF03654746 Tosylate; PF 03654746 Tosylate; PF-3654746 Tosylate; PF3654746 Tosylate; PF 3654746 Tosylate, H3 receptor antagonist;
IUPAC/Chemical Name
(1r,3r)-N-ethyl-3-fluoro-3-(3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)cyclobutane-1-carboxamide 4-methylbenzenesulfonate
InChi Key
IKAYTZLLIWAEDV-WXWMPIANSA-N
InChi Code
InChI=1S/C18H24F2N2O.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23);2-5H,1H3,(H,8,9,10)/t14-,18-;
SMILES Code
O=C([C@H]1C[C@](C2=CC=C(CN3CCCC3)C(F)=C2)(F)C1)NCC.O=S(C4=CC=C(C)C=C4)(O)=O
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
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 494.60 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
Wager, T. T., Pettersen, B. A., Schmidt, A. W., Spracklin, D. K., Mente, S., Butler, T. W., ... & Chandrasekaran, R. Y. (2011). Discovery of two clinical histamine H3 receptor antagonists: trans-N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl) phenyl] cyclobutanecarboxamide (PF-03654746) and trans-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl) phenyl]-N-(2-methylpropyl) cyclobutanecarboxamide (PF-03654764). Journal of medicinal chemistry, 54(21), 7602-7620.