N-(4'-Hydroxy-3'-methoxybenzyl)-3-[((12''R)-hydroxy)-octadec-(9''Z)-en-1-ylseleno]propanamide

ID: ALA4239872

Chembl Id: CHEMBL4239872

PubChem CID: 145984968

Max Phase: Preclinical

Molecular Formula: C29H49NO4Se

Molecular Weight: 554.67

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCCCCC[C@@H](O)C/C=C\CCCCCCCC[Se]CCC(=O)NCc1ccc(O)c(OC)c1

Standard InChI:  InChI=1S/C29H49NO4Se/c1-3-4-5-13-16-26(31)17-14-11-9-7-6-8-10-12-15-21-35-22-20-29(33)30-24-25-18-19-27(32)28(23-25)34-2/h11,14,18-19,23,26,31-32H,3-10,12-13,15-17,20-22,24H2,1-2H3,(H,30,33)/b14-11-/t26-/m1/s1

Standard InChI Key:  HOESDJAEFGLIDW-RDQNCKLBSA-N

Alternative Forms

1. Parent:

   

   ALA4239872

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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: 554.67

Molecular Weight (Monoisotopic): 555.2827

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References

1. Schiano Moriello A, López Chinarro S, Novo Fernández O, Eras J, Amodeo P, Canela-Garayoa R, Vitale RM, Di Marzo V, De Petrocellis L..  (2018)  Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists.,  61  (18): [PMID:30176215] [10.1021/acs.jmedchem.8b00734]

Source

Source(1):

• Scientific Literature