[³H](-)CGP 12177 - Moligand™ , Agonist of β 1-adrenoceptor;Antagonist of β 1-adrenoceptor, CAS No.H614072, Agonist of β 1-adrenoceptor;Antagonist of β 1-adrenoceptor

CAS: H614072 Cat. No.: H614072 PubChem CID: 6603756

GRADE & PURITY Moligand™

Synonyms

Z7YP8B158Q|UNII-Z7YP8B158Q|CGP-12177, (S)-|CHEMBL36060|(-)-CGP 12177|[3H](-)CGP 12177|(S)-(-)-CGP-12177|CGP-12177A|2H-Benzimidazol-2-one, 4-((2S)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-|95840-76-9|Tocris-1134|Lopac-C-125|GTPL531|SCHEMB

Storage

Room temperature

Specifications

Sinónimos

Z7YP8B158Q | UNII-Z7YP8B158Q | CGP-12177, (S)- | CHEMBL36060 | (-)-CGP 12177 | [3H](-)CGP 12177 | (S)-(-)-CGP-12177 | CGP-12177A | 2H-Benzimidazol-2-one, 4-((2S)-3-((1, 1-dimethylethyl)amino)-2-hydroxypropoxy)-1, 3-dihydro- | 95840-76-9 | Tocris-1134 | Lopac-C-125 | GTPL531 | SCHEMB

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST, ANTAGONIST

Mecanismo de acción

Agonist of β 1-adrenoceptor;Antagonist of β 1-adrenoceptor

Nombres e identificadores

• Sonrisas canónicas: O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C
• IUPAC Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
• InChIKey: UMQUQWCJKFOUGV-VIFPVBQESA-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)/t9-/m0/s1
• Isómeros SMILES: CC(C)(C)NC[C@@H](COC1=CC=CC2=C1NC(=O)N2)O
• PubChem CID: 6603756

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Phenol ethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Ureas Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Phenol ether - Alkyl aryl ether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Urea - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (1 Activities)

Discover Target: ADRB2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRB1 Tclin Beta-1 adrenergic receptor (1 Activities)

Discover Target: ADRB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción