Azepexole - Moligand™, ≥98% , CAS No.36067-73-9

CAS: 36067-73-9 Cat. No.: A667782 Fórmula: C₉H₁₅N₃O Peso molecular: 181.23

CALIDAD & PUREZA Moligand™, ≥98%

Synonyms

Azepexole|6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine|6-ethyl-5,6,7,8-tetrahydro-4h-oxazolo[4,5-d]azepin-2-amine|2-Amino-6-ethyl-5,6,7,8-tetrahydro-4H-oxazolo(4,5-d)azepine|Azepexolum|Azepexol|Azepexol [INN-Spanish]|Azepexolum [INN-Latin]|BHT-933|Azepexole [INN:BAN]|AZEPEXOLE [INN]|Lopac-B-161|AZEPEXOLE [MART.]|4H-oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-|SDCCGSBI-0050165.P002|4H-Oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-, dihydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Azepexole (B-HT 933) is a selective α2 adrenergic inducer with over 300-fold selectivity for α2 adrenergic receptors over α1 adrenergic receptors. Azepexole can be used to study the biological functions of α2 adrenergic receptors and inhibition of related diseases. Azepexole may also play a role in regulating mood and improving cognitive function.

Especificaciones

Sinónimos

Azepexole | 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine | 6-ethyl-5,6,7,8-tetrahydro-4h-oxazolo[4,5-d]azepin-2-amine | 2-Amino-6-ethyl-5,6,7,8-tetrahydro-4H-oxazolo(4,5-d)azepine | Azepexolum | Azepexol | Azepexol [INN-Spanish] | Azepexolum [INN-Latin] | BHT-933 | Azepexole [INN:BAN] | AZEPEXOLE [INN] | Lopac-B-161 | AZEP Show more

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Propiedades del producto

ALogP

0.8

Nombres e identificadores

Sonrisas canónicas

CCN1CCC2=C(CC1)OC(=N2)N

IUPAC Name

6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine

InChIKey

ZNXAJGZPUQOEDZ-UHFFFAOYSA-N

INCHI

1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)

Isómeros SMILES

CCN1CCC2=C(CC1)OC(=N2)N

CAS alternativo

147663-20-5 ；36067-72-8

Peso molecular

181.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepines
• Alternative Parents: Aralkylamines Oxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Azepine - Aralkylamine - Azole - Oxazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Hydrocarbon derivative - Amine - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• 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)

CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)

Discover Target: CYP3A4

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

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Objetivos asociados (no humanos)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Adra1b Adrenergic receptor alpha (950 Activities)

Discover Target: Adra1b

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 181.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.122 Da
• Monoisotopic Mass: 181.122 Da
• Topological Polar Surface Area: 55.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1