AZD3293 (Lanabecestat) - Moligand™, 10mM in DMSO , Inhibitor of beta-secretase 1, CAS No.1383982-64-6, Inhibitor of beta-secretase 1

CAS: 1383982-64-6 Cat. No.: A421451 Peso molecular: 412.53

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

(1r,4r)-4-methoxy-5''-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine | Lanabecestat(AZD3293,LY-3314814) | AZD 3293 | US8865911, 114 | HY-100740 | n-(2-chloroethyl)-pyrrolidine.hydrochloride | Lana

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Product Describtion:
Lanabecestat (AZD3293) is a highly permeable, orally active and blood-brain barrier penetrating BACE1 inhibitor (Ki: 0.4 nM).

Specifications

Sinónimos

(1r, 4r)-4-methoxy-5''-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro[cyclohexane-1, 2'-indene-1', 2''-imidazol]-4''-amine | Lanabecestat(AZD3293, LY-3314814) | AZD 3293 | US8865911, 114 | HY-100740 | n-(2-chloroethyl)-pyrrolidine.hydrochloride | Lana

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Potent, highly permeable, orally active, blood-brain barrier (BBB) penetrating, specific BACE-1 inhibitor with unique slow off-rate kinetics.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of beta-secretase 1

Propiedades del producto

• ALogP: 3

Nombres e identificadores

• Sonrisas canónicas: CC#CC1=CC(=CN=C1)C2=CC3=C(CC4(C35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2
• InChIKey: WKDNQONLGXOZRG-BOPKNSRXSA-N
• INCHI: 1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1
• Isómeros SMILES: CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2
• CAS alternativo: 1383984-21-1,1383982-64-6
• Términos de entrada MeSH: 4-methoxy-5'-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro(cyclohexane-1,2'-inden-1',2'-imidazol)-4'-amine;AZD3293;lanabecestat
• Peso molecular: 412.53
• Reaxy-Rn: 22623426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22623426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Pyridines and derivatives Imidolactams Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Pyridine - Imidolactam - Heteroaromatic compound - Ketimine - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Imine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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)

BACE1 Tchem Beta-secretase 1 (3 Activities)

Discover Target: BACE1

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

Propiedades químicas y físicas

• Peso molecular: 412.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 412.226 Da
• Monoisotopic Mass: 412.226 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 827.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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