MedKoo Cat#: 319603 | Name: Vibegron

Description:

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

Vibegron, also known as MK-4618, is a potent and selective Beta 3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder (OAB). Vibegron has no unacceptable toxicity in preclinical species. Vibegron is currently in Phase 3 human clinical trials for the treatment of OAB. β3-adrenergic receptor (β3-AR) agonists were investigated as potential treatments for obesity and/or diabetes owing to their ability to induce lipolysis, thermogenesis, and antihyperglycemic activity in preclinical species.

Chemical Structure

Vibegron
Vibegron
CAS#1190389-15-1

Theoretical Analysis

MedKoo Cat#: 319603

Name: Vibegron

CAS#: 1190389-15-1

Chemical Formula: C26H28N4O3

Exact Mass: 444.2161

Molecular Weight: 444.54

Elemental Analysis: C, 70.25; H, 6.35; N, 12.60; O, 10.80

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
MK-4618; MK 4618; MK4618; KRP114V; KRP-114V; KRP 114V; Vibegron; Gemtesa;
IUPAC/Chemical Name
(S)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide
InChi Key
DJXRIQMCROIRCZ-XOEOCAAJSA-N
InChi Code
InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
SMILES Code
O=C([C@@H]1CCC2=NC=CC(N21)=O)NC3=CC=C(C[C@H]4N[C@@H]([C@H](O)C5=CC=CC=C5)CC4)C=C3
Appearance
White to off-white 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 444.54 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: Edmondson SD, Zhu C, Kar NF, Di Salvo J, Nagabukuro H, Sacre-Salem B, Dingley K, Berger R, Goble S, Morriello GJ, Harper B, Moyes CR, Shen DM, Wang L, Ball RG, Fitzmaurice A, Frenkl T, Gichuru L, Ha SN, Hurley A, Jochnowitz N, Levorse D, Mistry S, Miller R, Ormes J, Salituro G, Sanfiz A, Stevenson A, Villa K, Zamlynny B, Green S, Struthers M, Weber AE. Discovery of Vibegron: A Potent and Selective Beta 3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder. J Med Chem. 2015 Dec 27. [Epub ahead of print] PubMed PMID: 26709102.