AZD3463 - Moligand™, ≥98% , Inhibitor of ALK receptor tyrosine kinase;Inhibitor of Insulin-like growth factor I receptor, CAS No.1356962-20-3, Inhibitor of ALK receptor tyrosine kinase;Inhibitor of Insulin-like growth factor I receptor

CAS: 1356962-20-3 Cat. No.: A125664 Molecular Weight: 448.95

GRADE & PURITY Moligand™, ≥98%

Synonyms

BCP07685 | Q27074737 | CI 37550 | DTXSID50717792 | HMS3653G05 | N-(4-(4-Aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine | BDBM192752 | NCGC00351596-09 | N-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AZD3463 is a novel orally bioavailable ALK inhibitor with Ki of 0.75 nM, which also inhibits IGF1R with equivalent potency.

Specifications

Synonyms

BCP07685 | Q27074737 | CI 37550 | DTXSID50717792 | HMS3653G05 | N-(4-(4-Aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine | BDBM192752 | NCGC00351596-09 | N-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

AZD-3463 is an ALK/IGF1R inhibitor which overcomes multiple mechanisms of acquired resistance to crizotinib.AZD3463 is an orally available, potent receptor tyrosine kinase (RTK) inhibtor against anaplastic lymphoma kinase ALK (Ki = 0.75 nM; IC50 = 15-21 n

Storage

Store at -20°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 ALK receptor tyrosine kinase;Inhibitor of Insulin-like growth factor I receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771420
• Canonical Smiles: COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
• IUPAC Name: N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
• InChIKey: GCYIGMXOIWJGBU-UHFFFAOYSA-N
• INCHI: 1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
• Isomeric SMILES: COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
• Molecular Weight: 448.95
• Reaxy-Rn: 22168424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22168424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Aminophenyl ethers Indoles Methoxyanilines Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Halopyrimidines Alkyl aryl ethers Aminopiperidines Aminopyrimidines and derivatives Substituted pyrroles Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Indole - Indole or derivatives - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - 4-aminopiperidine - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Benzenoid - Substituted pyrrole - Pyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Tertiary amine - Secondary amine - Azacycle - Ether - Primary amine - Organic nitrogen compound - Amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Associated Targets(Human)

IGF1R Tclin Insulin-like growth factor 1 receptor (1 Activities)

Discover Target: IGF1R

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

ALK Tclin ALK tyrosine kinase receptor (2 Activities)

Discover Target: ALK

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

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

IMR-32 (1082 Activities)

Explore this target

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

SH-SY5Y (11521 Activities)

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

HepG2 (196354 Activities)

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

ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

BaF3 (4657 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 448.900 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 448.178 Da
• Monoisotopic Mass: 448.178 Da
• Topological Polar Surface Area: 92.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 605.000
• 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