ChemSpider 2D Image | CX-5461 | C27H27N7O2S

CX-5461

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID26323624

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1138549-36-6 [RN]
2-(4-Methyl-1,4-diazepan-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridin-6-carboxamid [German] [ACD/IUPAC Name]
2-(4-Methyl-1,4-diazepan-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide [ACD/IUPAC Name]
2-(4-Méthyl-1,4-diazépan-1-yl)-N-[(5-méthyl-2-pyrazinyl)méthyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphtyridine-6-carboxamide [French] [ACD/IUPAC Name]
3R4C5YLB9I
5H-Benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo- [ACD/Index Name]
CX-5461
[1138549-36-6] [RN]
2-(4-methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      DNA/RNA Synthesis inhibitor TargetMol T2100

    • Chemical Class:

      An organic heterotetracyclic compound that is 5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid substituted by a 4-methyl-1,4-diazepan-1-yl group at position 2 and in which the ca rboxy group at position 6 is substituted by a [(5-methylpyrazin-2-yl)methyl]nitrilo group. An inhibitor of ribosomal RNA (rRNA) synthesis which specifically inhibits RNA polymerase I-driven transcript ion of rRNA in several cancer cell lines. It is currently in phase I/II clinical trials for advanced hematologic malignancies and triple-negative breast cancer with BRCA1/2 mutation. ChEBI CHEBI:156287

    • Bio Activity:

      A375;MIA PaCa-2 TargetMol T2100
      CX-5461 is an inhibitor of rRNA synthesis, selectively inhibits Pol I-driven transcription of rRNA with IC50 of 142 nM, has no effect on Pol II, and possesses 250- to 300-fold selectivity for inhibiti on of rRNA transcription versus DNA replication and protein translation. MedChem Express
      CX-5461 is an inhibitor of rRNA synthesis, selectively inhibits Pol I-driven transcription of rRNA with IC50 of 142 nM, has no effect on Pol II, and possesses 250- to 300-fold selectivity for inhibition of rRNA transcription versus DNA replication and protein translation.; IC50 Value: 142 nM; Target: RNA polymerase II; CX-5461 is a first-in-class non-genotoxic small molecule targeted inhibitor of RNA polymerase I (Pol I) that activates the p53 pathway without causing DNA damage. MedChem Express HY-13323
      CX-5461 is an inhibitor of rRNA synthesis, selectively inhibits Pol I-driven transcription of rRNA with IC50 of 142 nM, has no effect on Pol II, and possesses 250- to 300-fold selectivity for inhibition of rRNA transcription versus DNA replication and protein translation.;IC50 Value: 142 nM;Target: RNA polymerase IICX-5461 is a first-in-class non-genotoxic small molecule targeted inhibitor of RNA polymerase I (Pol I) that activates the p53 pathway without causing DNA damage. CX-5461 selectively inhibits rRNA synthesis by Pol I in the nucleolus, but does not inhibit mRNA synthesis by RNA Polymerase II (Pol II) and does not inhibit DNA replication or protein synthesis. Inhibition of Pol I results in nucleolar stress and release of ribosomal proteins (RP) from the nucleolus. The RP bind to Mdm2 and liberate p53 to orchestrate apoptosis in cancer cells. CX-5461 demonstrates a favorable preclinical profile, potently and selectively kills cancer cells, demonstrates robust in vivo effica MedChem Express HY-13323
      DNA Damage/DNA Repair TargetMol T2100
      DNA/RNA Synthesis MedChem Express HY-13323
      Others MedChem Express HY-13323

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 739.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.62
Polar Surface Area: 120 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

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