WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H319603
CAS#: 1190389-15-1
Description: 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.
Hodoodo Cat#: H319603
Name: Vibegron
CAS#: 1190389-15-1
Chemical Formula: C26H28N4O3
Exact Mass: 444.22
Molecular Weight: 444.535
Elemental Analysis: C, 70.25; H, 6.35; N, 12.60; O, 10.80
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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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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.
| 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
