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 Molecular Weight: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

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 Insulin-like growth factor I receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766469
• Canonical Smiles: 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)
• Isomeric SMILES: C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6
• Molecular Weight: 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
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

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)

Chemical and Physical Properties

• Solubility: DMSO 88 mg/mL Water <1 mg/mL Ethanol 24 mg/mL
• Molecular Weight: 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