For research use only. Not for therapeutic Use.
ANAT inhibitor-4 dilithium (Cat No.: I040134) is a small-molecule compound designed to inhibit the activity of ANAT (a specific protein or enzyme involved in cellular signaling or metabolic pathways). By blocking ANAT’s function, the compound may modulate various biological processes such as cell growth, inflammation, or protein synthesis. Dilithium salts are included to improve the solubility and bioavailability of the compound. ANAT inhibitor-4 dilithium holds potential for therapeutic applications in diseases like cancer, metabolic disorders, or autoimmune conditions, though further studies are needed.
| 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. |
