1-Isopropylamino-3-((2-methyl-1,2-dihydro-benzo[e][1,2]-azaborinin-8-yl)oxy)-propan-2-ol

ID: ALA3736433

Chembl Id: CHEMBL3736433

PubChem CID: 127034966

Max Phase: Preclinical

Molecular Formula: C14H21BN2O2

Molecular Weight: 260.15

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CB1C=Cc2cccc(OCC(O)CN(C)C)c2N1

Standard InChI:  InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3

Standard InChI Key:  CCSPGLLRANVKRG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3736433

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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: 260.15

Molecular Weight (Monoisotopic): 260.1696

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References

1. Rombouts FJ, Tovar F, Austin N, Tresadern G, Trabanco AA..  (2015)  Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example.,  58  (23): [PMID:26565745] [10.1021/acs.jmedchem.5b01088]

Source

Source(1):

• Scientific Literature