NVP-AEW541 - Moligand™, ≥98% , Inhibitor of Insulin-like growth factor I receptor, CAS No.475489-16-8, Inhibitor of Insulin-like growth factor I receptor

CAS: 475489-16-8 Cat. No.: N125538 Peso molecular: 439.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

FT-0744338 | 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | AECDBHGVIIRMOI-GRGXKFILSA-N | DTXSID60467110 | Q27272024 | NVP-AEW541-A | UNII-AI9WDT80FQ | 7-((1r,3r)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

NVP-AEW541 is a potent inhibitor of IGF-1R/InsR with IC50 of 150 nM/140 nM in cell-free assays, greater potency and selectivity for IGF-1R in a cell-based assay.

Specifications

Sinónimos

FT-0744338 | 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2, 3-d]pyrimidin-4-amine | AECDBHGVIIRMOI-GRGXKFILSA-N | DTXSID60467110 | Q27272024 | NVP-AEW541-A | UNII-AI9WDT80FQ | 7-((1r, 3r)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(b

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

NVP-AEW541 is a reversible, ATP-competitive, orally available insulin-like growth factor-I receptor (IGF-IR, IGF-1R) inhibitor that, despite its equipotency against recombinant kinase domains of insulin receptor (InsR) and IGF-IR in cell-free kinase assay

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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 Insulin-like growth factor I receptor

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766469
• Sonrisas canónicas: C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6
• IUPAC Name: 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
• InChIKey: AECDBHGVIIRMOI-UHFFFAOYSA-N
• INCHI: 1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)
• Isómeros SMILES: C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6
• Peso molecular: 439.55
• Reaxy-Rn: 25733718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25733718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Pyrrolo[2,3-d]pyrimidines Phenoxy compounds Phenol ethers Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Trialkylamines Azetidines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azetidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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)

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)

Propiedades químicas y físicas

• Solubilidad: DMSO 88 mg/mL Water <1 mg/mL Ethanol 24 mg/mL
• Peso molecular: 439.600 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 439.237 Da
• Monoisotopic Mass: 439.237 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 632.000
• 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