1-[4-(13,15-Dioxa-15-boradispiro[5.0.5.3]pentadec-14-yl)-phenyl]methyl-1,4,7-triazacyclononane

ID: ALA5218643

Chembl Id: CHEMBL5218643

PubChem CID: 168298909

Max Phase: Preclinical

Molecular Formula: C25H40BN3O2

Molecular Weight: 425.43

Names and Identifiers

Canonical SMILES:  c1cc(B2OC3(CCCCC3)C3(CCCCC3)O2)ccc1CN1CCNCCNCC1

Standard InChI:  InChI=1S/C25H40BN3O2/c1-3-11-24(12-4-1)25(13-5-2-6-14-25)31-26(30-24)23-9-7-22(8-10-23)21-29-19-17-27-15-16-28-18-20-29/h7-10,27-28H,1-6,11-21H2

Standard InChI Key:  DFYFMZICAUPPAV-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5218643

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2. Alternative Forms:

   

   ALA5218643

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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: 425.43

Molecular Weight (Monoisotopic): 425.3214

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References

1. Ueda H, Suzuki M, Kuroda R, Tanaka T, Aoki S..  (2021)  Design, Synthesis, and Biological Evaluation of Boron-Containing Macrocyclic Polyamines and Their Zinc(II) Complexes for Boron Neutron Capture Therapy.,  64  (12.0): [PMID:34077212] [10.1021/acs.jmedchem.1c00445]

Source

Source(1):

• Scientific Literature