Isopropyl ((((E)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbut-2-en-1-yl)oxy)(phenoxy)phosphoryl)-L-alaninate

ID: ALA4127400

Chembl Id: CHEMBL4127400

PubChem CID: 145962570

Max Phase: Preclinical

Molecular Formula: C23H40NO6PSi

Molecular Weight: 485.63

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  C/C(=C\COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C

Standard InChI:  InChI=1S/C23H40NO6PSi/c1-18(2)29-22(25)20(4)24-31(26,30-21-13-11-10-12-14-21)27-16-15-19(3)17-28-32(8,9)23(5,6)7/h10-15,18,20H,16-17H2,1-9H3,(H,24,26)/b19-15+/t20-,31?/m0/s1

Standard InChI Key:  JGQSMACHANJTOE-DHJMNKTESA-N

Alternative Forms

1. Parent:

   

   ALA4127400

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 485.63

Molecular Weight (Monoisotopic): 485.2363

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References

1. Davey MS, Malde R, Mykura RC, Baker AT, Taher TE, Le Duff CS, Willcox BE, Mehellou Y..  (2018)  Synthesis and Biological Evaluation of ( E)-4-Hydroxy-3-methylbut-2-enyl Phosphate (HMBP) Aryloxy Triester Phosphoramidate Prodrugs as Activators of Vγ9/Vδ2 T-Cell Immune Responses.,  61  (5): [PMID:29457898] [10.1021/acs.jmedchem.7b01824]

Source

Source(1):

• Scientific Literature