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MedKoo Cat#: 319856 | Name: Serlopitant

Description:

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

Serlopitant, also known as VPD-737 and MK-0594, is an NK1 receptor antagonist assessed in clinical trials for the treatment of urinary incontinence and overactive bladder, but while it was superior to placebo it provided no advantage over existing approved drugs, and was not approved for further development.

Chemical Structure

Serlopitant
CAS#860642-69-9

Theoretical Analysis

MedKoo Cat#: 319856

Name: Serlopitant

CAS#: 860642-69-9

Chemical Formula: C29H28F7NO2

Exact Mass: 555.2008

Molecular Weight: 555.54

Elemental Analysis: C, 62.70; H, 5.08; F, 23.94; N, 2.52; O, 5.76

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 #
No Data
Synonym
VPD-737; VPD737; VPD 737; MK-0594; MK 0594; MK0594; Serlopitant.
IUPAC/Chemical Name
3-((3aR,4R,5S,7aS)-5-((1R)-1-(3,5-bis(Trifluoromethyl)phenyl)ethoxy)-4-(4 fluorophenyl)octahydro-2H-isoindol-2-yl)cyclopent-2-en-1-one
InChi Key
FLNYCRJBCNNHRH-OIYLJQICSA-N
InChi Code
InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1
SMILES Code
O=C1C=C(N2C[C@@]3([H])CC[C@H](O[C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)[C@@H](C5=CC=C(F)C=C5)[C@]3([H])C2)CC1
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 555.54 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: Frenkl TL, Zhu H, Reiss T, Seltzer O, Rosenberg E, Green S. A multicenter, double-blind, randomized, placebo controlled trial of a neurokinin-1 receptor antagonist for overactive bladder. J Urol. 2010 Aug;184(2):616-22. doi: 10.1016/j.juro.2010.03.147. Epub 2010 Jun 19. PubMed PMID: 20639026. 2: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2009 Jun;31(5):341-56. PubMed PMID: 19649342.