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1884222-74-5

1884222-74-5 Structure

1884222-74-5 Structure
IdentificationBack Directory
[Name]

2,4-Pyrimidinediamine, N4-cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-
[CAS]

1884222-74-5
[Synonyms]

sbp-7455
2,4-Pyrimidinediamine, N4-cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-
SBP-7455,ULK,TNBC,ULK2,ULK1,Unc-51 like kinase,sbp7455,Ser318,sbp 7455,Inhibitor,inhibit,Autophagy,pATG13,oral
[Molecular Formula]

C16H17F3N4O2
[MDL Number]

MFCD32899898
[MOL File]

1884222-74-5.mol
[Molecular Weight]

354.33
Chemical PropertiesBack Directory
[Boiling point ]

490.2±55.0 °C(Predicted)
[density ]

1.405±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:4): 0.20 mg/ml,Ethanol: 1 mg/ml
[form ]

A crystalline solid
[pka]

3.29±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

SBP-7455 is a potent, high affinity and orally active dual ULK1/ULK2 autophagy inhibitor with IC50s of 13 nM and 476 nM in the ADP-Glo assays, respectively. SBP-7455 potently inhibits ULK1/2 enzymatic activity and can be used for triple-negative breast cancer (TNBC) research[1].
[in vivo]

A single dose of SBP-7455 (compound 26) (30 mg/kg) is orally administered to mice. The Tmax for SBP-7455 is approximately 1 h,? the Cmax is 990 nM and the T1/2 is 1.7 h. The plasma concentration of SBP-7455 remains above the ULK1 IC50 for almost 4 h after oral dosing[1].
? The mice are dosed with SBP-7455 (compound 26) (10 mg/kg) by oral gavage, and liver samples were collected after 2 h. The results reveals robust inhibition of pATG13 (Ser318), as well as downregulation of total ATG13 and ULK1 levels by SBP-7455[1].

[IC 50]

ULK1: 13 nM (IC50); ULK2: 476 nM (IC50)
[References]

[1] Huiyu Ren, et al. Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer. J Med Chem. 2020 Dec 10;63(23):1460 DOI:10.1021/acs.jmedchem.0c00873
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