ZD-7114 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30N2O6.ClH
Molecular Weight	454.944
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COCCNC(=O)COC1=CC=C(OCCNC[C@H](O)COC2=CC=CC=C2)C=C1

InChI

InChIKey=KCAMZVQSGDBGGF-FERBBOLQSA-N

InChI=1S/C22H30N2O6.ClH/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19;/h2-10,18,23,25H,11-17H2,1H3,(H,24,26);1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H30N2O6
Molecular Weight	418.4834
Charge	0
Count

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

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta-3 adrenergic receptor 49 Target ID: CHEMBL246 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9653893\|https://www.ncbi.nlm.nih.gov/pubmed/8836634\|https://www.ncbi.nlm.nih.gov/pubmed/12452903	Agonist 2678		1.9 nM [EC50]
Beta-3 adrenergic receptor 49 Target ID: P13945 Gene ID: 155.0 Gene Symbol: ADRB3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12361698 \| https://www.ncbi.nlm.nih.gov/pubmed/9653893	Agonist 2678

PubMed

Title	Date	PubMed
Evaluation of ICI D7114, a putative stimulant of brown adipocytes, on histamine-contracted guinea-pig ileum.	1993 Aug	8104647
Effects of ZD7114, a selective beta3-adrenoceptor agonist, on neuroendocrine mechanisms controlling energy balance.	1998 Apr 24	9653893
Gastroprotective effect of beta3 adrenoreceptor agonists ZD 7114 and CGP 12177A in rats.	2002 Oct	12361698

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:31 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:31 UTC 2023`
Record UNII	Z63T1D9750
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZD-7114 HYDROCHLORIDE

Code

English

ACETAMIDE, 2-(4-(2-((2-HYDROXY-3-PHENOXYPROPYL)AMINO)ETHOXY)PHENOXY)-N-(2-METHOXYETHYL)-, MONOHYDROCHLORIDE, (S)-

Systematic Name

English

D-7114 HYDROCHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

Z63T1D9750

Created by admin on Fri Dec 15 15:37:31 UTC 2023 , Edited by admin on Fri Dec 15 15:37:31 UTC 2023

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EPA CompTox

DTXSID90432437

Created by admin on Fri Dec 15 15:37:31 UTC 2023 , Edited by admin on Fri Dec 15 15:37:31 UTC 2023

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CAS

129689-28-7

Created by admin on Fri Dec 15 15:37:31 UTC 2023 , Edited by admin on Fri Dec 15 15:37:31 UTC 2023

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PUBCHEM

9890216

Created by admin on Fri Dec 15 15:37:31 UTC 2023 , Edited by admin on Fri Dec 15 15:37:31 UTC 2023

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