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893075-58-6

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893075-58-6 Structure

893075-58-6 Structure
IdentificationBack Directory
[Name]

STD1T
[CAS]

893075-58-6
[Synonyms]

STD1T
STD1T,STD-1T
Benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[2-[[5-(2-thienyl)-3-isoxazolyl]methoxy]acetyl]amino]-
[Molecular Formula]

C19H19N3O4S2
[MDL Number]

MFCD09784132
[MOL File]

893075-58-6.mol
[Molecular Weight]

417.5
Chemical PropertiesBack Directory
[Boiling point ]

638.5±55.0 °C(Predicted)
[density ]

1.430±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 62.5 mg/mL (149.70 mM; Need ultrasonic)
[form ]

A solid
[pka]

12.58±0.20(Predicted)
[color ]

White to yellow
[InChI]

InChI=1S/C19H19N3O4S2/c20-18(24)17-12-4-1-2-5-14(12)28-19(17)21-16(23)10-25-9-11-8-13(26-22-11)15-6-3-7-27-15/h3,6-8H,1-2,4-5,9-10H2,(H2,20,24)(H,21,23)
[InChIKey]

NRPUXFKWYPJDFT-UHFFFAOYSA-N
[SMILES]

C12CCCCC=1C(C(N)=O)=C(NC(COCC1C=C(C3SC=CC=3)ON=1)=O)S2
Hazard InformationBack Directory
[Uses]

STD1T is a deubiquitinase USP2a inhibitor with an IC50 of 3.3 μM in Ub-AMC Assay[1].
[References]

[1] Marcin D Tomala, et al. Identification of small-molecule inhibitors of USP2a. Eur J Med Chem. 2018 Apr 25;150:261-267. DOI:10.1016/j.ejmech.2018.03.009
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