5.31131
USP1-UAF1 Inhibitor, ML323
别名:
USP1-UAF1 Inhibitor, ML323, N-(4-(1H-1,2,3-Triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine, USP1–UAF1 Deubiquitinase complex Inhibitor, ML 323
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关于此项目
经验公式（希尔记法）:
C23H24N6
化学文摘社编号:
分子量:
384.48
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77
PubChem Substance ID:
Assay:
≥98% (HPLC)
Form:
powder
Storage condition:
protect from light, OK to freeze
assay
≥98% (HPLC)
Quality Segment
form
powder
manufacturer/tradename
Calbiochem®
storage condition
protect from light, OK to freeze
color
off-white
solubility
DMSO: 100 mg/mL
storage temp.
2-8°C
SMILES string
CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C
InChI
1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
InChI key
VUIRVWPJNKZOSS-UHFFFAOYSA-N
General description
A cell-permeable, non-toxic triazolylbenzyl-pyrimidinamine compound that acts as a highly selective, potent, and reversible inhibitor of ubiquitin-specific protease 1 (USP1)-USP1 associated factor 1 (UAF1) deubiquitinase (DUB) (IC50 = 76, 174, and 820 nM in Ub-Rhodamine; K63 linked diubiquitin; and Ub-PCNA substrate based assays) without disrupting USP1-UAF1 association. The inhibition appears to be allosteric in nature with inhibition constants of 68 nM and 183 nM (for free enzyme and enzyme-substrate complex, respectively). Displays excellent selectivity over 18-DUBs including USP1 and USP46-UAF1, related deSUMOylases & deneddylases, 70 unrelated proteases, and 451 kinases. Effectively sensitizes cisplatin-resistant NSCLC H596 cells and U2OS osteosarcoma cells to cisplatin (Cat. No. 232120) and blocks cell cycle at the S phase (EC50 = 171 and 59 nM for 1:1 and 1:4 ratio of cisplatin to ML323 in H596 cells).Please note that the molecular weight for this compound is batch-specific due to variable water content.
Biochem/physiol Actions
Cell permeable: yes
Primary Target
USP1-UAF1 deubiquitinase (DUBs) complex
USP1-UAF1 deubiquitinase (DUBs) complex
Reversible: yes
Packaging
Packaged under inert gas
Preparation Note
Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.
Other Notes
Dexheimer, T.S., et al. 2014. J. Med. Chem.57, in press.
Liang, Q., et al. 2014. Nat Chem Biol.10, 298.
Liang, Q., et al. 2014. Nat Chem Biol.10, 298.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Standard Handling (A)
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable