Derazantinib(ARQ-087) - Moligand™, ≥99% , Fibroblast growth factor receptor inhibitor, CAS No.1234356-69-4, Fibroblast growth factor receptor inhibitor

CAS: 1234356-69-4 Cat. No.: D302670 Molecular Weight: 468.57

GRADE & PURITY Moligand™, ≥99%

Synonyms

Benzo(H)quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-, (6R)- | DB14889 | WHO 10488 | (6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine | ARQ-087ARQ-0

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Derazantinib(ARQ-087) is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) with IC50 values of 1.8 nM for FGFR2, and 4.5 nM for FGFR1 and 3, showing lower potency for FGFR4 (IC50=34 nM). It also inhibits RET, DDR2, PDGFRβ, VEGFR and KIT.

Specifications

Synonyms

Benzo(H)quinazolin-2-amine, 6-(2-fluorophenyl)-5, 6-dihydro-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-, (6R)- | DB14889 | WHO 10488 | (6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5, 6-dihydrobenzo[h]quinazolin-2-amine | ARQ-087ARQ-0

Specifications & Purity

Moligand™, ≥99%

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

Fibroblast growth factor receptor inhibitor

Purity

≥99%

Product Properties

• ALogP: 5.3

Names and Identifiers

• Pubchem Sid: 504770792
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770792
• Canonical Smiles: COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5F
• IUPAC Name: (6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
• InChIKey: KPJDVVCDVBFRMU-AREMUKBSSA-N
• INCHI: 1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1
• Isomeric SMILES: COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F
• Molecular Weight: 468.57
• Reaxy-Rn: 40028850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40028850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Naphthalenes Phenethylamines Aniline and substituted anilines Fluorobenzenes Aralkylamines Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Naphthalene - Phenethylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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)

FGFR1 Tclin Fibroblast growth factor receptor 1 (1 Activities)

Discover Target: FGFR1

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

FGFR2 Tclin Fibroblast growth factor receptor 2 (1 Activities)

Discover Target: FGFR2

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

FGFR3 Tclin Fibroblast growth factor receptor 3 (1 Activities)

Discover Target: FGFR3

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 468.600 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 468.233 Da
• Monoisotopic Mass: 468.233 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 638.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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