ChemSpider 2D Image | TG101209 | C26H35N7O2S

TG101209

  • Molecular FormulaC26H35N7O2S
  • Average mass509.667 Da
  • Monoisotopic mass509.257294 Da
  • ChemSpider ID17626389

More details:

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

3-[(5-Methyl-2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-(2-methyl-2-propanyl)benzenesulfonamide [ACD/IUPAC Name]
3-[(5-Méthyl-2-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)amino]-N-(2-méthyl-2-propanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
3-[(5-Methyl-2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-(2-methyl-2-propanyl)benzolsulfonamid [German] [ACD/IUPAC Name]
936091-14-4 [RN]
Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
N-TERT-BUTYL-3-[(5-METHYL-2-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]BENZENE-1-SULFONAMIDE
N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
TG101209
[936091-14-4] [RN]
1M3
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      JAK inhibitor; FLT3 inhibitor; RET inhibitor TargetMol T3065

    • Chemical Class:

      A member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a <ital>p</ital>-(4-methylpiperazin-1-yl)phenyl group, while that a t position 4 is substituted by a <ital>m</ital>-(<ital>tert</ital>-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor. ChEBI CHEBI:90304
      A member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a p-(4-methylpiperazin-1-yl)phenyl group, while that at position 4 is substituted by a m-(tert-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor. ChEBI CHEBI:90304

    • Bio Activity:

      BET bromodomain MedChem Express HY-10410
      BET bromodomain JAK MedChem Express HY-10410
      Cell Cycle/DNA Damage MedChem Express HY-10410
      Cell Cycle/DNA Damage; JAK/STAT Signaling; MedChem Express HY-10410
      JAK2;RET;FLT3;JAK3 TargetMol T3065
      TG101209 is a selective JAK2 inhibitor with IC50 of 6 nM, less potent to Flt3 and RET with IC50 of 25 nM and 17 nM, ~30-fold selective for JAK2 than JAK3, sensitive to JAK2V617F and MPLW515L/K mutations; TG101209 inhibit BRD4 activity with IC50 of 130 nM.; IC50 value: 6 nM (JAK2); 130 nM(BRD4)[1][2]; Target: JAK2; BRD4; in vitro: TG101209 is an orally bioavailable, small molecule, ATP-competitive inhibitor towards several tyrosine kinases. MedChem Express HY-10410
      TG101209 is a selective JAK2 inhibitor with IC50 of 6 nM, less potent to Flt3 and RET with IC50 of 25 nM and 17 nM, ~30-fold selective for JAK2 than JAK3, sensitive to JAK2V617F and MPLW515L/K mutations; TG101209 inhibit BRD4 activity with IC50 of 130 nM.;IC50 value: 6 nM (JAK2); 130 nM(BRD4)[1][2];Target: JAK2; BRD4;In vitro: TG101209 is an orally bioavailable, small molecule, ATP-competitive inhibitor towards several tyrosine kinases. TG101209 inhibits growth of Ba/F3 cells expressing JAK2V617F or MPLW515L mutations with an IC50 of B200 nM. In a human JAK2V617F-expressing acute myeloid leukemia cell line, TG101209 inducs cell cycle arrest and apoptosis, and inhibits phosphorylation of JAK2V617F, STAT5 and STAT3. TG101209 suppresses growth of hematopoietic colonies from primary progenitor cells harboring JAK2V617F or MPL515 mutations [1]. TG101209 displayed strongest inhibitory potential against BRD4 (IC50 =130 nM) and high selectivity for BET bromodomains [2]. TG101209 significan MedChem Express HY-10410
      Tyrosine Kinase/Adaptors; JAK/STAT Signaling TargetMol T3065

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.0±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 130.29
ACD/KOC (pH 7.4): 815.26
Polar Surface Area: 111 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

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