MedKoo Cat#: 319818 | Name: Afacifenacin fumarate

Description:

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

Afacifenacin, also known as NS-986 and SMP-986, is a muscarinic receptor antagonist. Afacifenacin possesses the dual pharmacological actions of muscarinic receptor antagonism (non-selective) and inhibition of the bladder afferent pathway through Na+-channel blockade. Afacifenacin is being evaluated for its ability to ease urinary urgency and reduce the frequency of both urination and incontinence. Afacifenacin has also exhibited the potential to have lower incidence of side effects related to muscarinic receptor antagonism, such as dry mouth.

Chemical Structure

Afacifenacin fumarate
Afacifenacin fumarate
CAS#877606-63-8 (fumarate); 877606-63-8 (free base).

Theoretical Analysis

MedKoo Cat#: 319818

Name: Afacifenacin fumarate

CAS#: 877606-63-8 (fumarate); 877606-63-8 (free base).

Chemical Formula: C31H30F3N3O6

Exact Mass:

Molecular Weight: 597.59

Elemental Analysis: C, 62.31; H, 5.06; F, 9.54; N, 7.03; O, 16.06

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 #
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Synonym
NS-986; NS986; NS 986; SMP-986; SMP986; SMP 986; Afacifenacin; Afacifenacin fumarate
IUPAC/Chemical Name
(S)-4-phenyl-3-(1-(3-(trifluoromethoxy)benzyl)piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one fumarate
InChi Key
KOUDXPQOXCFHHV-RHWBLDFMSA-N
InChi Code
InChI=1S/C27H26F3N3O2.C4H4O4/c28-27(29,30)35-22-10-6-7-19(17-22)18-32-15-13-21(14-16-32)33-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)31-26(33)34;5-3(6)1-2-4(7)8/h1-12,17,21,25H,13-16,18H2,(H,31,34);1-2H,(H,5,6)(H,7,8)/b;2-1+/t25-;/m0./s1
SMILES Code
O=C1NC2=C(C=CC=C2)[C@H](C3=CC=CC=C3)N1C4CCN(CC5=CC=CC(OC(F)(F)F)=C5)CC4.O=C(O)/C=C/C(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
Soluble in DMSO, not in water
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 597.59 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: Zacche MM, Giarenis I, Cardozo L. Phase II drugs that target cholinergic receptors for the treatment of overactive bladder. Expert Opin Investig Drugs. 2014 Oct;23(10):1365-74. doi: 10.1517/13543784.2014.925877. Epub 2014 Jun 5. Review. PubMed PMID: 24899225.