8-((4-(3-((tert-butyldimethylsilyl)oxy)propyl)-5-((3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dichlorophenyl)octanamide

ID: ALA4869889

Chembl Id: CHEMBL4869889

PubChem CID: 164618543

Max Phase: Preclinical

Molecular Formula: C35H48Cl2N6O3SSi

Molecular Weight: 731.87

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCCO[Si](C)(C)C(C)(C)C)c2ccccc2c1=O

Standard InChI:  InChI=1S/C35H48Cl2N6O3SSi/c1-35(2,3)48(5,6)46-21-14-20-43-31(24-30-26-15-11-12-16-27(26)33(45)42(4)41-30)39-40-34(43)47-22-13-9-7-8-10-17-32(44)38-29-19-18-25(36)23-28(29)37/h11-12,15-16,18-19,23H,7-10,13-14,17,20-22,24H2,1-6H3,(H,38,44)

Standard InChI Key:  MZIJQTGOQIVPQH-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4869889

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 731.87

Molecular Weight (Monoisotopic): 730.2655

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References

1. Smadja J, Quéméner A, Maillasson M, Sicard B, Leray A, Arzel L, Lebreton J, Mortier E, Dubreuil D, Mathé-Allainmat M..  (2021)  Rational modification, synthesis and biological evaluation of N-substituted phthalazinone derivatives designed to target interleukine-15 protein.,  39  [PMID:33932805] [10.1016/j.bmc.2021.116161]

Source

Source(1):

• Scientific Literature