(R)-2-((R)-3-(decyloxy)tetradecanamido)-3-((2R,3R,4R,5S,6R)-3-((R)-3-(decyloxy)tetradecanamido)-4-((R)-3-(decyloxy)tetradecanoyloxy)-6-(hydroxymethyl)-5-(phosphonooxy)tetrahydro-2H-pyran-2-yloxy)propanoic acid

ID: ALA3353324

Chembl Id: CHEMBL3353324

PubChem CID: 118719532

Max Phase: Preclinical

Molecular Formula: C81H157N2O16P

Molecular Weight: 1446.12

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

Standard InChI:  InChI=1S/C81H157N2O16P/c1-7-13-19-25-31-37-40-46-52-58-69(93-61-55-49-43-34-28-22-16-10-4)64-74(85)82-72(80(88)89)68-96-81-77(83-75(86)65-70(59-53-47-41-38-32-26-20-14-8-2)94-62-56-50-44-35-29-23-17-11-5)79(78(73(67-84)97-81)99-100(90,91)92)98-76(87)66-71(60-54-48-42-39-33-27-21-15-9-3)95-63-57-51-45-36-30-24-18-12-6/h69-73,77-79,81,84H,7-68H2,1-6H3,(H,82,85)(H,83,86)(H,88,89)(H2,90,91,92)/t69-,70-,71-,72-,73-,77-,78-,79-,81-/m1/s1

Standard InChI Key:  ICLAYQQKWJGHBV-XGNLYMQBSA-N

Alternative Forms

1. Parent:

   

   ALA3353324

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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: 1446.12

Molecular Weight (Monoisotopic): 1445.1271

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References

1. Khalaf JK, Bowen WS, Bazin HG, Ryter KT, Livesay MT, Ward JR, Evans JT, Johnson DA..  (2015)  Characterization of TRIF selectivity in the AGP class of lipid A mimetics: role of secondary lipid chains.,  25  (3): [PMID:25553892] [10.1016/j.bmcl.2014.12.024]

Source

Source(1):

• Scientific Literature