TL02-59 - ≥99% , CAS No.1315330-17-6

CAS: 1315330-17-6 Cat. No.: T651668 Molecular Weight: 609.64 PubChem CID: 71254350

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

TL02-59 is an orally active, selective Src-family kinase Fgr inhibitor with an IC 50 of 0.03 nM. TL02-59 inhibits Lyn and Hck with IC 50 s of 0.1 nM and 160 nM, respectively. TL02-59 potently suppresses acute myelogenous leukemia (AML) cell growth

In Vitro

TL02-59 (0.1-1000 nM; 6 hours) potently inhibits Fgr autophosphorylation in TF-1 cells, with paritial inhibition at 0.1-1 nM and complete inhibition above 10 nM. Hck, Lyn and Flt3 are inhibited in the 100 to 1000 nM range. TL02-59 inhibits the growth and induced apoptosis of AML cell lines expressing this kinase with single-digit nM potency. TL02-59 induces growth arrest in primary AML bone marrow samples. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: TF-1 myeloid cells Concentration: 0.1, 1, 10, 100, 1000 nM Incubation Time: 6 hours Result: Inhibited Fgr autophosphorylation in TF-1 cells.

In Vivo

TL02-59 (oral administration; 1 and 10 mg/kg; for three weeks) completely eliminates AML cells from the spleen and peripheral blood in a mouse model of AML, while dramatically suppressing bone marrow involvement . TL02-59 has a t 1/2 of 5.7 h by i.v injection and 6.5 h by p.o. administration, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: NOD.Cg-Prkdc scid Il2rg tm1Wjl /SzJ (NSG) mice with human MV4-11 AML cells Dosage: 1 and 10 mg/kg Administration: Oral; for three weeks Result: Eliminated AML cells from the spleen and peripheral blood in a mouse model of AML, while dramatically suppressing bone marrow involvement.

Form:Solid

IC50& Target:IC50: 0.03 nM (Fgr), 0.1 nM (Lyn) and 160 nM (Hck)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

TL02-59 is an orally active, selective Src-family kinase Fgr inhibitor with an IC 50 of 0.03 nM. TL02-59 inhibits Lyn and Hck with IC 50 s of 0.1 nM and 160 nM, respectively. TL02-59 potently suppresses acute myelogenous leukemia (AML) cell growth.

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=CC(=C(C=C54)OC)OC)C(F)(F)F
• IUPAC Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
• InChIKey: AMHWQBGAKJESFB-UHFFFAOYSA-N
• INCHI: 1S/C32H34F3N5O4/c1-5-39-10-12-40(13-11-39)18-22-8-9-23(15-25(22)32(33,34)35)38-30(41)21-7-6-20(2)27(14-21)44-31-24-16-28(42-3)29(43-4)17-26(24)36-19-37-31/h6-9,14-17,19H,5,10-13,18H2,1-4H3,(H,38,41)
• Isomeric SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=CC(=C(C=C54)OC)OC)C(F)(F)F
• PubChem CID: 71254350
• Molecular Weight: 609.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Diarylethers Quinazolines Trifluoromethylbenzenes p-Toluamides Benzamides Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Benzoyl derivatives Aralkylamines Alkyl aryl ethers N-alkylpiperazines Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Diaryl ether - Trifluoromethylbenzene - Quinazoline - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Anisole - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - Toluene - N-alkylpiperazine - Alkyl aryl ether - 1,4-diazinane - Piperazine - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (205.04 mM; Need ultrasonic)
• Molecular Weight: 609.600 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 609.256 Da
• Monoisotopic Mass: 609.256 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 923.000
• 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