AZD1080 - Moligand™, ≥98% , Inhibitor of glycogen synthase kinase 3 alpha;Inhibitor of glycogen synthase kinase 3 beta, CAS No.612487-72-6, Inhibitor of glycogen synthase kinase 3 alpha;Inhibitor of glycogen synthase kinase 3 beta

CAS: 612487-72-6 Cat. No.: A126905 分子式: C₁₉H₁₈N₄O₂ 分子量: 334.37

GRADE & PURITY Moligand™, ≥98%

Synonyms

1,3-DICHLOROPROPENE, (1E)- | 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile | AKOS026674123 | BCP07919 | SCHEMBL18642422 | KB-160506 | HMS3886F11 | J-690334 | GTPL7819 | CCG-267852 | Q27074696 | SW219647-1 | DB06718 | HMS3653I11 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

AZD1080 is a selective, orally active, brain permeable GSK3 inhibitor of GSK3α and GSK3β with Ki of 6.9 nM and 31 nM, respectively, shows >14-fold selectivity against CDK2, CDK5, CDK1 and Erk2.

Specifications

同義語

1,3-DICHLOROPROPENE, (1E)- | 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile | AKOS026674123 | BCP07919 | SCHEMBL18642422 | KB-160506 | HMS3886F11 | J-690334 | GTPL7819 | CCG-267852 | Q27074696 | SW219647-1 | DB06718 | HMS3653I11 |

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Description:
IC50 Value: 31 nM [1]
AZD1080 is a potent and selective GSK3 inhibitor that demonstrates peripheral target engagement in Phase 1 clinical studies.
in vitro: AZD1080 inhibits tau phosphorylation in cells express

保管条件

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 glycogen synthase kinase 3 alpha;Inhibitor of glycogen synthase kinase 3 beta

純度

≥98%

名前と識別子

• パブケム・シド: 528757525
• カノニカル・スマイル: C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
• IUPAC Name: 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
• InChIKey: BLTVBQXJFVRPFK-UHFFFAOYSA-N
• INCHI: 1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
• 異性体SMILES: C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
• 分子量: 334.37
• Reaxy-Rn: 12942175
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12942175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Aralkylamines Substituted pyrroles Pyridines and derivatives Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Aralkylamine - Morpholine - Oxazinane - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organonitrogen compound - Amine - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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）

GSK3B Tclin Glycogen synthase kinase-3 beta (1 Activities)

Discover Target: GSK3B

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

GSK3A Tclin Glycogen synthase kinase-3 alpha (1 Activities)

Discover Target: GSK3A

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: DMSO 52 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• 分子量: 334.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 334.143 Da
• Monoisotopic Mass: 334.143 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 501.000
• 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