Mirabegron

CAT: 0804-HY-14773-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-14773-05Size:50 mg

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Description

Mirabegron is a selective β3-adrenoceptor agonist with EC50 of 22.4 nM.

CAS Number

223673-61-8

Product Name Alternative

YM178

UNSPSC

12352005

Hazard Statement

H361

Target

Adrenergic Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease; Endocrinology; Cancer

Assay Protocol

https://www.medchemexpress.com/mirabegron.html

Purity

99.90

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1)CC3=CSC(N)=N3

Molecular Formula

C21H24N4O2S

Molecular Weight

396.51

Precautions

H361

References & Citations

[1]Takasu T, et al. Effect of (R) -2- (2-aminothiazol-4-yl) -4'-{2-[ (2-hydroxy-2-phenylethyl) amino]ethyl} acetanilide (YM178), a novel selective beta3-adrenoceptor agonist, on bladder function. J Pharmacol Exp Ther. 2007 May;321 (2) :642-7.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

β adrenergic receptor

Chemical Information

Mirabegron

Mirabegron is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-amino-1,3-thiazol-4-ylacetic acid with the anilino group of (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol. Used for the treatment of overactive bladder syndrome. It has a role as a beta-adrenergic agonist. It is a member of ethanolamines, a monocarboxylic acid amide, a member of 1,3-thiazoles and an aromatic amide.

CAS Number	223673-61-8
PubChem CID	9865528
IUPAC Name	2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
Molecular Formula	C21H24N4O2S
Molecular Weight	396.5
XLogP	2.1
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	28
Formal Charge	0
Complexity	467

SMILES

C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O

InChI

InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1

InChIKey

PBAPPPCECJKMCM-IBGZPJMESA-N

Chemical Structure

2D Structure

CAS: 223673-61-8

CID: 9865528

Formula: C21H24N4O2S

MW: 396.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.5
XLogP3	2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	396.16199719
Monoisotopic Mass	396.16199719
Topological Polar Surface Area	129 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	467
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
OR1027819-01	Mirabegron

Mirabegron

Chemical Information

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