| Identification | Back Directory | [Name]
4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 7-[(4-chlorophenyl)methyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-yl ester | [CAS]
2331255-53-7 | [Synonyms]
4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-, 7-[(4-chlorophenyl)methyl]hexahydro-1,3-dioxoimidazo[1,5-a]pyrazin-2-yl ester | [Molecular Formula]
C22H21ClN4O5 | [MDL Number]
MFCD31814442 | [MOL File]
2331255-53-7.mol | [Molecular Weight]
456.88 |
| Chemical Properties | Back Directory | [storage temp. ]
Store at -20°C | [solubility ]
Acetonitrile: 1 mg/ml; Chloroform: 1 mg/ml; Methyl Acetate: 1 mg/ml | [form ]
A crystalline solid | [color ]
White to off-white | [InChI]
InChI=1S/C22H21ClN4O5/c23-16-7-5-15(6-8-16)13-24-9-10-25-18(14-24)20(28)27(21(25)29)32-22(30)26-11-12-31-19-4-2-1-3-17(19)26/h1-8,18H,9-14H2 | [InChIKey]
OZPZCETZTBBQBO-UHFFFAOYSA-N | [SMILES]
O1C2=CC=CC=C2N(C(ON2C(=O)C3N(C2=O)CCN(CC2=CC=C(Cl)C=C2)C3)=O)CC1 |
| Hazard Information | Back Directory | [Description]
ABC99 is a Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme, ABC99 inhibited NOTUM with an IC50 value of 13 nM and showed excellent selectivity across the serine hydrolase family, as initially assessed by gel-based ABPP of soluble and membrane proteomes from SW620 cells. ABC99 preserves Wnt-mediated cell signaling in the presence of NOTUM and was also converted into an ABPP probe for visualizing NOTUM in native biological systems. | [Uses]
ABC99 is an N-hydroxyhydantoin (NHH) carbamate that selectively inhibits the Wnt-deacylating enzyme NOTUM (IC50=13 nM). ABC99 preserves Wnt3A signaling in the presence of NOTUM[1]. | [References]
[1] Suciu RM, et al. Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme NOTUM Developed by Activity-Based Protein Profiling. ACS Med Chem Lett. 2018;9(6):563-568. DOI:10.1021/acsmedchemlett.8b00191 |
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| Company Name: |
BOC Sciences
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| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
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