ChemSpider 2D Image | LDC067 | C18H18N4O3S

LDC067

  • Molecular FormulaC18H18N4O3S
  • Average mass370.426 Da
  • Monoisotopic mass370.109955 Da
  • ChemSpider ID28602522

More details:

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

(3-{[6-(2-METHOXYPHENYL)PYRIMIDIN-4-YL]AMINO}PHENYL)METHANESULFONAMIDE
1-(3-{[6-(2-Methoxyphenyl)-4-pyrimidinyl]amino}phenyl)methanesulfonamide [ACD/IUPAC Name]
1-(3-{[6-(2-Méthoxyphényl)-4-pyrimidinyl]amino}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
1-(3-{[6-(2-Methoxyphenyl)-4-pyrimidinyl]amino}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
1073485-20-7 [RN]
3-[[6-(2-Methoxyphenyl)-4-pyrimidinyl]amino]-benzenemethanesulfonamide
Benzenemethanesulfonamide, 3-[[6-(2-methoxyphenyl)-4-pyrimidinyl]amino]- [ACD/Index Name]
LDC000067
LDC067
MFCD28137788
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CDK MedChem Express HY-15878
      Cell Cycle/DNA Damage MedChem Express HY-15878
      Cell Cycle/DNA Damage; MedChem Express HY-15878
      LDC000067(LDC-067) is a highly specific CDK9 inhibitor with IC50 of 32.7 nM for CDK9/cyclin T1; displays 55/125/210/ MedChem Express http://www.medchemexpress.com/ap-iii-a4-hydrochloride.html
      LDC000067(LDC-067) is a highly specific CDK9 inhibitor with IC50 of 32.7 nM for CDK9/cyclin T1; displays 55/125/210/ >227/ >227-fold selectivity for CDK9 versus CDK2/1/4/6/7.; IC50 value: 32.7 nM [1]; Target: CDK9 inhibitor; The selectivity of LDC000067 for CDK9 over other CDKs exceeded that of the known inhibitors flavopiridol and DRB. MedChem Express HY-15878
      LDC000067(LDC-067) is a highly specific CDK9 inhibitor with IC50 of 32.7 nM for CDK9/cyclin T1; displays 55/125/210/ >227/ >227-fold selectivity for CDK9 versus CDK2/1/4/6/7.;IC50 value: 32.7 nM [1];Target: CDK9 inhibitor;The selectivity of LDC000067 for CDK9 over other CDKs exceeded that of the known inhibitors flavopiridol and DRB. LDC000067 inhibited in vitro transcription in an ATP-competitive and dose-dependent manner. Gene expression profiling of cells treated with LDC000067 demonstrated a selective reduction of short-lived mRNAs, including important regulators of proliferation and apoptosis. LDC000067 represents a promising lead for the development of clinically useful, highly specific CDK9 inhibitors. MedChem Express HY-15878

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.01
ACD/KOC (pH 5.5): 323.42
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.13
ACD/KOC (pH 7.4): 378.85
Polar Surface Area: 116 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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