ZD-7114

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30N2O6
Molecular Weight	418.4834
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=RVMBDLSFFNKKLG-SFHVURJKSA-N

InChI=1S/C22H30N2O6/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)/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

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
Gastroprotective effect of beta3 adrenoreceptor agonists ZD 7114 and CGP 12177A in rats.	2002 Oct	12361698

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:26:58 UTC 2023` Edited by `admin` on `Sat Dec 16 08:26:58 UTC 2023`
Record UNII	EF5S87KTK2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZD-7114

Code

English

ICI D7114

Common Name

English

ICI-D 7114

Code

English

D-7114

Code

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

129689-30-1

Created by admin on Sat Dec 16 08:26:58 UTC 2023 , Edited by admin on Sat Dec 16 08:26:58 UTC 2023

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EPA CompTox

DTXSID50926463

Created by admin on Sat Dec 16 08:26:58 UTC 2023 , Edited by admin on Sat Dec 16 08:26:58 UTC 2023

PRIMARY

PUBCHEM

121877

Created by admin on Sat Dec 16 08:26:58 UTC 2023 , Edited by admin on Sat Dec 16 08:26:58 UTC 2023

PRIMARY

FDA UNII

EF5S87KTK2

Created by admin on Sat Dec 16 08:26:58 UTC 2023 , Edited by admin on Sat Dec 16 08:26:58 UTC 2023

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ZD-7114 HYDROCHLORIDE

SALT/SOLVATE -> PARENT