2-((3-cyano-6-((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)pyridin-2-yl)oxy)ethyl acetate

ID: ALA5269793

Chembl Id: CHEMBL5269793

Max Phase: Preclinical

Molecular Formula: C17H15BN2O6

Molecular Weight: 354.13

Names and Identifiers

Canonical SMILES:  CC(=O)OCCOc1nc(Oc2ccc3c(c2)COB3O)ccc1C#N

Standard InChI:  InChI=1S/C17H15BN2O6/c1-11(21)23-6-7-24-17-12(9-19)2-5-16(20-17)26-14-3-4-15-13(8-14)10-25-18(15)22/h2-5,8,22H,6-7,10H2,1H3

Standard InChI Key:  XIMHZMKMSZOFRT-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5269793

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 354.13

Molecular Weight (Monoisotopic): 354.1023

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References

1. Nadur NF, de Azevedo LL, Caruso L, Graebin CS, Lacerda RB, Kümmerle AE..  (2021)  The long and winding road of designing phosphodiesterase inhibitors for the treatment of heart failure.,  212  [PMID:33412421] [10.1016/j.ejmech.2020.113123]

Source

Source(1):

• Scientific Literature