Talibegron (hydrochloride)

CAT: 0804-HY-15378-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-15378-01Size:1 mg

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Description

Talibegron hydrochloride (ZD2079 hydrochloride) is a potent β3-adrenoceptor agonist with a pD2 of 3.72 on phenylephrine-preconstricted rat mesenteric artery. Talibegron hydrochloride has potent vasorelaxant effect[1].

CAS Number

178600-17-4

Product Name Alternative

ZD2079 (hydrochloride)

UNSPSC

12352005

Target

Adrenergic Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/talibegron-hydrochloride.html

Purity

99.63

Solubility

DMSO : 125 mg/mL (ultrasonic)

Smiles

O=C(O)CC1=CC=C(OCCNC[C@H](O)C2=CC=CC=C2)C=C1.[H]Cl

Molecular Formula

C18H22ClNO4

Molecular Weight

351.82

References & Citations

[1]Hanna Kozłowska, et al. Atypical beta-adrenoceptors, different from beta 3-adrenoceptors and probably from the low-affinity state of beta 1-adrenoceptors, relax the rat isolated mesenteric artery. Br J Pharmacol. 2003 Sep;140 (1) :3-12.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Isoform

β adrenergic receptor

Chemical Information

Talibegron Hydrochloride

See also: Talibegron (has active moiety).

CAS Number	178600-17-4
PubChem CID	158793
IUPAC Name	2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride
Molecular Formula	C18H22ClNO4
Molecular Weight	351.8
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	336

SMILES

C1=CC=C(C=C1)[C@H](CNCCOC2=CC=C(C=C2)CC(=O)O)O.Cl

InChI

InChI=1S/C18H21NO4.ClH/c20-17(15-4-2-1-3-5-15)13-19-10-11-23-16-8-6-14(7-9-16)12-18(21)22;/h1-9,17,19-20H,10-13H2,(H,21,22);1H/t17-;/m0./s1

InChIKey

KCEFVYIWOQSJCH-LMOVPXPDSA-N

Chemical Structure

2D Structure

CAS: 178600-17-4

CID: 158793

Formula: C18H22ClNO4

MW: 351.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	351.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	351.1237359
Monoisotopic Mass	351.1237359
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	336
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	2
Compound Is Canonicalized	Yes

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Talibegron (hydrochloride)

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