1-[(4-Boronopheny)methyl]-1,4,7-triazacyclononane Ditrifluroacetic acid

ID: ALA5219542

Chembl Id: CHEMBL5219542

PubChem CID: 168298454

Max Phase: Preclinical

Molecular Formula: C15H23BF3N3O4

Molecular Weight: 263.15

Names and Identifiers

Canonical SMILES:  O=C(O)C(F)(F)F.OB(O)c1ccc(CN2CCNCCNCC2)cc1

Standard InChI:  InChI=1S/C13H22BN3O2.C2HF3O2/c18-14(19)13-3-1-12(2-4-13)11-17-9-7-15-5-6-16-8-10-17;3-2(4,5)1(6)7/h1-4,15-16,18-19H,5-11H2;(H,6,7)

Standard InChI Key:  UTAKAUHJMWGZNM-UHFFFAOYSA-N

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: 263.15

Molecular Weight (Monoisotopic): 263.1805

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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