AZD3293 (Lanabecestat) - Moligand™, ≥99% , Inhibitor of beta-secretase 1, CAS No.1383982-64-6, Inhibitor of beta-secretase 1

CAS: 1383982-64-6 Cat. No.: A276027 分子式: C₂₆H₂₈N₄O 分子量: 412.53

GRADE & PURITY Moligand™, ≥99%

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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Lanabecestat (AZD3293) is a highly potent and highly permeable BACE1 inhibitor (Ki: 0.4 nM) that crosses the blood-brain barrier, Lanabecestat can be used for the study of neurological diseases like Alzheimer's disease.

Specifications

同義語

(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

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

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

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of beta-secretase 1

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥99%

製品の性質

ALogP

3

名前と識別子

パブケム・シド

528763219

カノニカル・スマイル

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

異性体SMILES

CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2

代替CAS番号

1383984-21-1,1383982-64-6

MeSH用語

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

分子量

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
    • 分類 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

BACE1 Tchem Beta-secretase 1 (3 Activities)

Discover Target: BACE1

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

化学的性質と物理的性質

• 溶解度: Solubility：DMSO
• 感度: Light sensitive
• 分子量: 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