CCB02 - ≥99% , CAS No.2100864-57-9

CAS: 2100864-57-9 Cat. No.: C648718 Molecular Weight: 235.24 PubChem CID: 129216797

GRADE & PURITY ≥99%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

CCB02 is a selective CPAP-tubulin interaction inhibitor, binding to tubulin and competing for the CPAP binding site of β-tubulin, with an IC 50 of 689 nM, and shows potent anti-tumor activity. CCB02 shows no inhibition on the cell cycle- and centrosome-related kinases, or the phosphorylation status of Aurora A , Plk1 , Plk2 , CDK2 , and CHK1

In Vitro

CCB02 perturbs CPAP PN2-3-tubulin interaction with an IC 50 of 0.441 μM in a PN2-3 CPAP-GST pull-down assay. CCB02 shows no inhibition on the cell cycle- and centrosome-related kinases, or the phosphorylation status of Aurora A, Plk1, Plk2, CDK2, and CHK1. CCB02 (0.1-15 μM, 72 hours) inhibits the proliferation of cancer cells with extra centrosomes, IC 50 s are 0.86-2.9 μM. CCB02 activates spindle assembly checkpoint, induces PCM proteins recruitment to centrosomes, and enhances microtubule nucleation activities of centrosomes. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: BT549, MDA-MB-231, Pop10, SCC13, SW1271 p53/pRb/CDKN2Adel , KYSE30 p53/MYC/CyclinD1 , A549 G12S , PC-9 EGFR-Exon19del , HCC827-GR, HCC1833-GR, H1975 T790M cells Concentration: 0.1-15 μM Incubation Time: 72 hours Result: Exhibited IC 50 s of 0.86 μM (Pop10), 1.2 μM (HCC827-GR), 1.5 μM (H1975 T790Mp53/MYC/CyclinD1 ), 1.15 μM (HCC1833-GR), 1.61 μM (SW1271 p53/pRb/CDKN2Adel ), 2.41 μM (SCC13), and 2.94 μM (PC-9 EGFR-Exon19del ).

In Vivo

CCB02 (30 mg/kg, p.o. daily for 24 days) shows potent anti-tumor effect in nude mice bearing subcutaneous human lung (H1975 T790M cells) tumor xenografts . CCB02 also suppresses MDA-MB-231 cell migration and cuases multipolar mitosis in mouse xenografts . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Nude mice bearing subcutaneous human lung (H1975T790M) tumor xenografts Dosage: 30 mg/kg Administration: P.O. daily for 24 days Result: Significantly decreased the tumor volume on day 24.

Form:Solid

IC50& Target:IC50: 689 nM (CPAP-tubulin)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

CCB02 is a selective CPAP-tubulin interaction inhibitor, binding to tubulin and competing for the CPAP binding site of β-tubulin, with an IC 50 of 689 nM, and shows potent anti-tumor activity. CCB02 shows no inhibition on the cell cycle- and centrosome-re

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=C(C2=NC3=CC=CC=C3C=C2C=N1)C#N
• IUPAC Name: 3-methoxybenzo[b][1,6]naphthyridine-4-carbonitrile
• InChIKey: QNJYUHRGCPRPQS-UHFFFAOYSA-N
• INCHI: 1S/C14H9N3O/c1-18-14-11(7-15)13-10(8-16-14)6-9-4-2-3-5-12(9)17-13/h2-6,8H,1H3
• PubChem CID: 129216797
• Molecular Weight: 235.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Quinolines and derivatives Polyhalopyridines Methylpyridines Alkyl aryl ethers 2-halopyridines Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Naphthyridine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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 : 25 mg/mL (106.27 mM; Need ultrasonic)
• Molecular Weight: 235.240 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.075 Da
• Monoisotopic Mass: 235.075 Da
• Topological Polar Surface Area: 58.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 350.000
• 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