Lubabegron | CAS#391920-32-4 | β3-adrenoreceptor agonist

MedKoo Cat#: 319673 | Name: Lubabegron free base

Description:

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

Lubabegron, also known as LY591281; LY488756 fumarate, is a veterinary drug used to reduce ammonia emissions from animals and their waste. Ammonia emissions are a concern in agricultural production because of detrimental effects on the environment, human health, and animal health. Lubabegron was approved by the U.S. Food and Drug Administration in 2018 for use in feedlot cattle. Lubabegron is a beta-adrenergic receptor agonist that has the effect of increasing the breakdown of fats and increasing energy expenditure in cells.

Chemical Structure

Lubabegron free base

CAS#391920-32-4 (free base)

Theoretical Analysis

MedKoo Cat#: 319673

Name: Lubabegron free base

CAS#: 391920-32-4 (free base)

Chemical Formula: C29H29N3O3S

Exact Mass: 499.1930

Molecular Weight: 499.63

Elemental Analysis: C, 69.72; H, 5.85; N, 8.41; O, 9.61; S, 6.42

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.

Bulk Inquiry

Related CAS #

391926-19-5 (fumarate) 391920-32-4 (free base) 391920-33-5 (HCl)

Synonym

LY488756; LY-488756; LY 488756; Lubabegron; (trade name Experior;

IUPAC/Chemical Name

(S)-2-(4-(2-((2-hydroxy-3-(2-(thiophen-2-yl)phenoxy)propyl)amino)-2-methylpropyl)phenoxy)nicotinonitrile

InChi Key

WIKLBKJBYSBYLL-QHCPKHFHSA-N

InChi Code

InChI=1S/C29H29N3O3S/c1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27/h3-16,23,32-33H,17,19-20H2,1-2H3/t23-/m0/s1

SMILES Code

N#CC1=CC=CN=C1OC2=CC=C(CC(C)(NC[C@H](O)COC3=CC=CC=C3C4=CC=CS4)C)C=C2

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 499.63 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

1: Teeter JS, Werth SJ, Gruber SL, Kube JC, Hagenmaier JA, Allen JB, Herr CT, Brown MS, Boler D, Dilger AC, Zhao Y, Pan Y, Mitloehner FM. Effects of feeding lubabegron on gas emissions, growth performance, and carcass characteristics of beef cattle housed in small-pen environmentally monitored enclosures during the last 3 mo of the finishing period. J Anim Sci. 2021 Dec 1;99(12):skab338. doi: 10.1093/jas/skab338. PMID: 34849995; PMCID: PMC8668178. 2: Kube JC, Holland BP, Word AB, Allen JB, Calvo-Lorenzo M, McKenna D, Vogel G. Erratum to: Effects of various doses of lubabegron on calculated ammonia gas emissions, growth performance, and carcass characteristics of beef cattle during the last 56 days of the feeding period. Transl Anim Sci. 2021 Nov 15;5(4):txab210. doi: 10.1093/tas/txab210. Erratum for: Transl Anim Sci. 2021 Aug 21;5(3):txab137. PMID: 34805772; PMCID: PMC8599265. 3: Kube JC, Holland BP, Word AB, Allen JB, Calvo-Lorenzo M, McKenna D, Vogel G. Effects of various doses of lubabegron on calculated ammonia gas emissions, growth performance, and carcass characteristics of beef cattle during the last 56 days of the feeding period. Transl Anim Sci. 2021 Aug 21;5(3):txab137. doi: 10.1093/tas/txab137. Erratum in: Transl Anim Sci. 2021 Nov 15;5(4):txab210. PMID: 34532643; PMCID: PMC8439260. 4: Dilger AC, Johnson BJ, Brent P, Ellis RL. Comparison of beta-ligands used in cattle production: structures, safety, and biological effects. J Anim Sci. 2021 Aug 1;99(8):skab094. doi: 10.1093/jas/skab094. PMID: 34337648; PMCID: PMC8326055. 5: Hwang JH, Spurlock ME, Kube JC, Li XZ, Smith SB. Characterization of β-adrenergic receptors in bovine intramuscular and subcutaneous adipose tissue: comparison of lubabegron fumarate with β-adrenergic receptor agonists and antagonists. J Anim Sci. 2021 Aug 1;99(8):skab116. doi: 10.1093/jas/skab116. PMID: 34337647; PMCID: PMC8326056.