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314761-14-3

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314761-14-3 Structure

314761-14-3 Structure
IdentificationBack Directory
[Name]

BTSA 1
[CAS]

314761-14-3
[Synonyms]

BTSA 1
CS-2853
BTSA 1;BTSA-1
BTSA1 >=98% (HPLC)
5-Phenyl-2-(4-phenyl-thiazol-2-yl)-4-(thiazol-2-yl-hydrazono)-2,4-dihydro-pyrazol-3-one
1H-Pyrazole-4,5-dione, 3-phenyl-1-(4-phenyl-2-thiazolyl)-, 4-[2-(2-thiazolyl)hydrazone]
[Molecular Formula]

C21H14N6OS2
[MOL File]

314761-14-3.mol
[Molecular Weight]

430.51
Chemical PropertiesBack Directory
[Boiling point ]

625.2±48.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO:53.0(Max Conc. mg/mL);123.11(Max Conc. mM)
[form ]

Solid
[pka]

6.52±0.40(Predicted)
[color ]

Brown to reddish brown
[InChI]

InChI=1S/C21H14N6OS2/c28-19-18(24-25-20-22-11-12-29-20)17(15-9-5-2-6-10-15)26-27(19)21-23-16(13-30-21)14-7-3-1-4-8-14/h1-13H,(H,22,25)
[InChIKey]

KYVZVVOQWWCVPP-UHFFFAOYSA-N
[SMILES]

N1(C2=NC(C3=CC=CC=C3)=CS2)C(=O)C(=NNC2=NC=CS2)C(C2=CC=CC=C2)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

BTSA1 is a potent, high affinity and orally active BAX activator with an IC50 of 250 nM and an EC50 of 144 nM. BTSA1 binds with high affinity and specificity to the N-terminal activation site and induces conformational changes to BAX leading to BAX-mediated apoptosis[1].
[Biological Activity]

BTSA1 is a BAX activator that binds to its N-terminal activation site with high affinity and specificity, induces a conformational change in BAX, and causes BAC-mediated apoptosis. It efficiently promotes apoptosis in leukemia cell lines and patient samples without affecting healthy cells.
[in vivo]

BTSA1 effectively inhibits human acute myeloid leukemia xenografts and enhances host survival without toxic side effects. In mice, it was well tolerated.
[target]

TargetValue
Bax
()
[IC 50]

Bax: 250 nM (IC50); Bax: 144 nM (EC50)
[References]

[1] Reyna DE, et al. Direct Activation of BAX by BTSA1 Overcomes Apoptosis Resistance in Acute Myeloid Leukemia. Cancer Cell. 2017 Oct 9;32(4):490-505.e10. DOI:10.1016/j.ccell.2017.09.001
Spectrum DetailBack Directory
[Spectrum Detail]

BTSA 1(314761-14-3)1HNMR
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