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Lubabegron

CAT: 0804-HY-123012-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-123012-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lubabegron is a potent modulator of β-adrenergic receptor (β-AR) . Lubabegron demonstrates antagonistic behavior at the β1 and β 2 receptor subtypes and agonistic behavior at the β 3 receptor subtype in cattle. Lubabegron reduces NH3 gas emissions from an animal or its waste. Lubabegron is available as an animal supplement[1][2].
CAS Number
391920-32-4
Product Name Alternative
LY-488756
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lubabegron.html
Purity
98.40
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N#CC1=CC=CN=C1OC2=CC=C(C=C2)CC(NC[C@@H](COC3=CC=CC=C3C4=CC=CS4)O)(C)C
Molecular Formula
C29H29N3O3S
Molecular Weight
499.62
References & Citations
[1]Kube JC, et al. 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 [published correction appears in Transl Anim Sci. 2021 Nov 15;5 (4) :txab210]. Transl Anim Sci. 2021;5 (3) :txab137. |[2]Corona A K, et al. The Impact of Lubabegron Supplementation on Meat Quality of Feedlot Steers. Meat and Muscle Biology, 2025, 9 (1) .
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
β adrenergic receptor

Chemical Information

Lubabegron

Lubabegron is a small molecule drug. The usage of the INN stem '-begron' in the name indicates that Lubabegron is a β3​ adrenoreceptor agonists. Lubabegron has a monoisotopic molecular weight of 499.19 Da.

CAS Number391920-32-4
PubChem CID60085980
IUPAC Name2-[4-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carbonitrile
Molecular FormulaC29H29N3O3S
Molecular Weight499.6
XLogP5.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity705
SMILES
CC(C)(CC1=CC=C(C=C1)OC2=C(C=CC=N2)C#N)NC[C@@H](COC3=CC=CC=C3C4=CC=CS4)O
InChI
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
InChIKey
WIKLBKJBYSBYLL-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Lubabegron
CAS: 391920-32-4
CID: 60085980
Formula: C29H29N3O3S
MW: 499.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.6
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass499.19296297
Monoisotopic Mass499.19296297
Topological Polar Surface Area116 Ų
Heavy Atom Count36
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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