| Identification | Back Directory | [Name]
CH5138303 | [CAS]
959763-06-5 | [Synonyms]
CH5138303
CH5138303cas
CH5138303_Hsp90
CH5138303 USP/EP/BP
4-[[4-Amino-6-(5-chloro-1H,3H-naphtho[1,8-cd]pyran-6-yl)-1,3,5-triazin-2-yl]thio]butanamide
4-[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-ylsulfanyl]butanamide
4-((4-Amino-6-(5-chloro-1,3-dihydrobenzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl)thio)butanamid
Butanamide, 4-[[4-amino-6-(5-chloro-1H,3H-naphtho[1,8-cd]pyran-6-yl)-1,3,5-triazin-2-yl]thio]-
4-[(4-Amino-6-[7-chloro-3-oxatricyclo[7.3.1.0(5,13)] trideca-1(13),5,7,9,11-pentaen-8-yl]-1,3,5-triazin-2-yl)sulfanyl]butanamide | [Molecular Formula]
C19 H18 Cl N5 O2 S | [MDL Number]
MFCD28099815 | [MOL File]
959763-06-5.mol | [Molecular Weight]
415.9 |
| Chemical Properties | Back Directory | [Boiling point ]
813.1±75.0 °C(Predicted) | [density ]
1.51±0.1 g/cm3(Predicted) | [storage temp. ]
Desiccate at -20°C | [solubility ]
insoluble in H2O; insoluble in EtOH; ≥19.95 mg/mL in DMSO | [form ]
solid | [pka]
16.39±0.40(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Description]
CH5138303 is a triazine Hsp90 inhibitor. CH5138303 binds to the N-terminus of Hsp90α (Kd = 0.52 nM) and inhibits growth of HCT116 and NCI-N87 human tumor cell lines in vitro (IC50s = 89 and 66 nM, respectively). CH5138303 also inhibits growth of human NCI-N87 gastric cancer xenografts (ED50 = 3.9 mg/kg) and displays high oral bioavailability in mice. | [target]
Hsp90 | [References]
[1]. suda a, kawasaki k, komiyama s, et al. design and synthesis of 2-amino-6-(1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel hsp90 inhibitors. bioorg med chem, 2014, 22(2): 892-905. |
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