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2858800-98-1

2858800-98-1 Structure

2858800-98-1 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2858800-98-1
[Synonyms]

[Molecular Formula]

C22H16ClFN2O4
[MOL File]

2858800-98-1.mol
[Molecular Weight]

426.82
Chemical PropertiesBack Directory
[Boiling point ]

609.4±65.0 °C(Predicted)
[density ]

1.440±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

8.72±0.40(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Uses]

OTUB1/USP8-IN-1 is a potent dual OTUB1/USP8 inhibitor with IC50 values of 0.17 and 0.28 nM for OTUB1 and USP8, respectively. OTUB1/USP8-IN-1 can be used in research of cancer[1].
[in vivo]

OTUB1/USP8-IN-1 (compound 61; 10 nM-10 μM; 72 h) decreases the tumor burden in the H1975 xenograft mouse model[1].

Animal Model:Female BALB/c nude mice with H1975 xenografts (5 weeks of age)[1]
Dosage:5 mg/kg
Administration:Intraperitoneal injection; QD and BID, for 2 weeks
Result:Reduced total tumor weight and average tumor volume in an over twofold with BID dosing.
Animal Model:Female BALB/c nude mice with H1975 xenograft (5 weeks of age)[1]
Dosage:1 and 10 mg/kg
Administration:Intravenous injection (1 mg/kg) and oral administration (10 mg/kg)
Result:1.19
Administrationi.v. (1 mg/kg)p.o. (10 mg/kg)
T1/2 (h)0.831.75
Tmax (h)0.33
Cmax (μg/L)4274
AUC (μg·h/L)13453747
CL (L/h/kg)44
Vdss (L/kg)0.77
[References]

[1] Tan L, et, al. Discovery of Potent OTUB1/USP8 Dual Inhibitors Targeting Proteostasis in Non-Small-Cell Lung Cancer. J Med Chem. 2022 Oct 11. DOI:10.1021/acs.jmedchem.2c00408
Spectrum DetailBack Directory
[Spectrum Detail]

Naphth[2,3-d]oxazole-4,9-dione, 2-[2-chloro-6-fluoro-3-[[(3R)-1-methyl-3-pyrrolidinyl]oxy]phenyl]-(2858800-98-1)1HNMR
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