For research use only. Not for therapeutic Use.
ANAT inhibitor-4 tetralithium (compound BA2) is potent N-acetyltransferase (ANAT) inhibitor with a Ki value of 48 nM. ANAT inhibitor-4 tetralithium has the potential for canavan disease (CD) research[1].
| Catalog Number | I040134 |
| Synonyms | dilithium;(2S)-2-[3-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]propanoylamino]butanedioate |
| Molecular Formula | C28H43Li2N8O21P3S |
| Purity | ≥95% |
| InChI | InChI=1S/C28H45N8O21P3S.2Li/c1-28(2,22(42)25(43)31-5-3-16(37)30-6-8-61-7-4-17(38)35-14(27(44)45)9-18(39)40)11-54-60(51,52)57-59(49,50)53-10-15-21(56-58(46,47)48)20(41)26(55-15)36-13-34-19-23(29)32-12-33-24(19)36;;/h12-15,20-22,26,41-42H,3-11H2,1-2H3,(H,30,37)(H,31,43)(H,35,38)(H,39,40)(H,44,45)(H,49,50)(H,51,52)(H2,29,32,33)(H2,46,47,48);;/q;2*+1/p-2/t14-,15+,20-,21?,22-,26+;;/m0../s1 |
| InChIKey | KTDMXUXWUIEBQJ-VNULBPDZSA-L |
| SMILES | [Li+].[Li+].CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCC(=O)NC(CC(=O)[O-])C(=O)[O-])O |
| Reference | [1]. Vinay Mutthamsetty, et al. Development of bisubstrate analog inhibitors of aspartate N-acetyltransferase, a critical brain enzyme. Chem Biol Drug Des. 2020 Jan;95(1):48-57. |
