TALIBEGRON HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21NO4.ClH
Molecular Weight	351.825
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.O[C@@H](CNCCOC1=CC=C(CC(O)=O)C=C1)C2=CC=CC=C2

InChI

InChIKey=KCEFVYIWOQSJCH-LMOVPXPDSA-N

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

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H21NO4
Molecular Weight	315.3636
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10207980 | http://adisinsight.springer.com/drugs/800002968

Talibegron (ZD2079) is a β3 adrenoceptor agonist and insulin sensitiser. It was developed as a potential treatment for obesity and non-insulin-dependent diabetes mellitus. Talibegron hydrochloride had been in phase II clinical trials by AstraZeneca for the treatment of type 2 diabetes and obesity. However, this research has been discontinued.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta-3 adrenergic receptor 49 Target ID: CHEMBL246 Sources: http://adisinsight.springer.com/drugs/800002968 \| http://www.genome.jp/dbget-bin/www_bget?drug+D02702 \| https://www.ncbi.nlm.nih.gov/pubmed/10511470	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Obesity 203 Sources: http://adisinsight.springer.com/drugs/800002968 https://www.ncbi.nlm.nih.gov/pubmed/11126205	Primary		Phase II 1132	Unknown Approved Use Unknown
Type 2 diabetes mellitus 259 Sources: http://adisinsight.springer.com/drugs/800002968 https://www.ncbi.nlm.nih.gov/pubmed/10207980	Primary		Preclinical	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
Alfa Chemistry	178600-17-4	http://www.alfa-chemistry.com/search.aspx?q=178600-17-4
Alfa Chemistry	ACM146376581	http://www.alfa-chemistry.com/search.aspx?q=ACM146376581
BOC Sciences	178600-17-4
Compound Cloud	158793
Compound Cloud	158794
MolPort	MolPort-006-069-143	https://www.molport.com/shop/molecule-link/MolPort-006-069-143
MolPort	MolPort-039-033-083	https://www.molport.com/shop/molecule-link/MolPort-039-033-083
MuseChem	M034407	https://www.musechem.com/product/M034407.html
Norris Pharm	NSZB-A271393
Tocris	2154	https://www.tocris.com/search.php?Type=QuickSearch&Value=2154
eMolecules	8318616	https://orderbb.emolecules.com/search/#?query=8318616
mcule	MCULE-1531876117	https://mcule.com/MCULE-1531876117/
mcule	MCULE-5640045474	https://mcule.com/MCULE-5640045474/
mcule	MCULE-7277132033	https://mcule.com/MCULE-7277132033/

PubMed

Title	Date	PubMed
Effects of the two beta3-agonists, ZD7114 and ZD2079 on 24 hour energy expenditure and respiratory quotient in obese subjects.	2000 Dec	11126205

Patents

Sample Use Guides

In Vivo Use Guide

Rats: Male and female rats were dosed separately by gavage for a minimum of 28 days with 0, 10, 30, and 150 mg/kg/day of Talibegron (ZD2079).

Route of Administration: Oral

In Vitro Use Guide

Talibegron (ZD2079) produced a concentration-dependent (10(-6)M - 10(-3)M) relaxation of the rat isolated carotid artery rings preconstricted with U-46619.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:26 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:26 GMT 2023`
Record UNII	N251Q608VU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TALIBEGRON HYDROCHLORIDE

Official Name

English

ZD2079

Code

English

ZD-2079

Code

English

SCH 417849

Code

English

ICID2079

Code

English

BENZENEACETIC ACID, 4-(2-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHOXY), HYDROCHLORIDE

Common Name

English

ICID-2079

Code

English

TALIBEGRON HCL

Common Name

English

SCH-417849

Code

English

TALIBEGRON HYDROCHLORIDE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149