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AZD1080 - 10mM in DMSO, high purity , CAS No.612487-72-6, Inhibitor of glycogen synthase kinase 3 alpha;Inhibitor of glycogen synthase kinase 3 beta

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 612487-72-6
Molecular Weight: 334.37
PubChem CID: 135564570

In stock

Item Number

A425069

Grouped product items
SKU	Size	Availability	Price	Qty
A425069-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

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Compound libraries (12325)

Basic Description

Synonyms	AZD1080 \| 612487-72-6 \| AZD-1080 \| 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile \| AZ-11548415 \| 0TII45R8IJ \| AZD 1080 \| UNII-0TII45R8IJ \| 2-Hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile \| 2-Hydroxy-3-[5-(4-morpholiny
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	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
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of glycogen synthase kinase 3 alpha;Inhibitor of glycogen synthase kinase 3 beta
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Hydroxyindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Associated Targets(Human)

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)

Names and Identifiers

IUPAC Name	2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
INCHI	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
InChIKey	BLTVBQXJFVRPFK-UHFFFAOYSA-N
Smiles	C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
Isomeric SMILES	C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
Molecular Weight	334.37
Reaxy-Rn	12942175
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12942175&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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