CGP-12177, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H21N3O3
Molecular Weight	279.3348
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)NCC(O)COC1=C2NC(=O)NC2=CC=C1

InChI

InChIKey=UMQUQWCJKFOUGV-UHFFFAOYSA-N

InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)

HIDE SMILES / InChI

Molecular Formula	C14H21N3O3
Molecular Weight	279.3348
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Potency
Beta-1 adrenergic receptor 158 Target ID: CHEMBL213 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15655528	Antagonist 2778	9.21 null [pKd]
Beta-2 adrenergic receptor 203 Target ID: CHEMBL210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15655528	Antagonist 2778	9.39 null [pKd]
Beta-3 adrenergic receptor 49 Target ID: CHEMBL246 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15655528	Partial Agonist 290	6.99 null [pKd]

PubMed

Title	Date	PubMed
Structural and conformational features determining selective signal transduction in the beta 3-adrenergic receptor.	1993 Dec	7903415
Adrenergic stimulation of lipoprotein lipase gene expression in rat brown adipocytes differentiated in culture: mediation via beta3- and alpha1-adrenergic receptors.	1997 Feb 1	9032464
Effects of (-)-RO363 at human atrial beta-adrenoceptor subtypes, the human cloned beta 3-adrenoceptor and rodent intestinal beta 3-adrenoceptors.	1997 Jan	9117106
A highly selective beta1-adrenergic blocker with partial beta2-agonist activity derived from ferulic acid, an active component of Ligusticum wallichii Franch.	1998 May	9593075
Functional, biochemical and molecular biological evidence for a possible beta(3)-adrenoceptor in human near-term myometrium.	2000 Aug	10952688
Norepinephrine induces vascular endothelial growth factor gene expression in brown adipocytes through a beta -adrenoreceptor/cAMP/protein kinase A pathway involving Src but independently of Erk1/2.	2000 May 5	10788502
beta(1)-Adrenoceptors compensate for beta(3)-adrenoceptors in ileum from beta(3)-adrenoceptor knock-out mice.	2001 Jan	11159692
In vivo quantification and parametric images of the cardiac beta-adrenergic receptor density.	2002 Feb	11850488
Beta 1-adrenoceptor selectivity of nebivolol and bisoprolol. A comparison of [3H]CGP 12.177 and [125I]iodocyanopindolol binding studies.	2003 Jan 26	12535855

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:23:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:23:54 GMT 2023`
Record UNII	R89UMZ82MJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CGP-12177, (±)-

Code

English

(±)-CGP-12177

Code

English

4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDROBENZIMIDAZOL-2-ONE

Systematic Name

English

2H-BENZIMIDAZOL-2-ONE, 4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDRO-

Systematic Name

English

CGP 12177

Code

English

Code System Code Type Description

FDA UNII

R89UMZ82MJ

Created by admin on Sat Dec 16 08:23:54 GMT 2023 , Edited by admin on Sat Dec 16 08:23:54 GMT 2023

PRIMARY

EPA CompTox

DTXSID901001733

Created by admin on Sat Dec 16 08:23:54 GMT 2023 , Edited by admin on Sat Dec 16 08:23:54 GMT 2023

PRIMARY

PUBCHEM

2687

Created by admin on Sat Dec 16 08:23:54 GMT 2023 , Edited by admin on Sat Dec 16 08:23:54 GMT 2023

PRIMARY

CAS

81047-99-6

Created by admin on Sat Dec 16 08:23:54 GMT 2023 , Edited by admin on Sat Dec 16 08:23:54 GMT 2023

PRIMARY

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