384859-58-9

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384859-58-9 Structure

Identification	Back Directory
[Name] BCH001
[CAS] 384859-58-9
[Synonyms] BCH001 3-Quinolinecarboxylic acid, 4-[(2-carboxyphenyl)amino]-6-(trifluoromethoxy)-, 3-ethyl ester
[Molecular Formula] C20H15F3N2O5
[MDL Number] MFCD02932975
[MOL File] 384859-58-9.mol
[Molecular Weight] 420.34

Chemical Properties	Back Directory
[Boiling point ] 494.3±45.0 °C(Predicted)
[density ] 1.448±0.06 g/cm3(Predicted)
[storage temp. ] Store at -20°C
[solubility ] DMSO : 125 mg/mL (297.38 mM; Need ultrasonic)
[form ] Solid
[pka] 3.39±0.36(Predicted)
[color ] White to yellow
[InChI] InChI=1S/C20H15F3N2O5/c1-2-29-19(28)14-10-24-15-8-7-11(30-20(21,22)23)9-13(15)17(14)25-16-6-4-3-5-12(16)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)
[InChIKey] FWJMVZAVAUGMDX-UHFFFAOYSA-N
[SMILES] N1C2C(=CC(OC(F)(F)F)=CC=2)C(NC2=CC=CC=C2C(O)=O)=C(C(OCC)=O)C=1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P280-P301+P312-P302+P352-P305+P351+P338

Hazard Information	Back Directory
[Uses] BCH001 is a specific PAPD5 inhibitor that can restore telomerase RNA activity in patient stem cells.
[storage] Store at -20°C

Spectrum Detail	Back Directory
[Spectrum Detail] BCH001(384859-58-9)¹HNMR

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