1-[2-(13,15-Dioxa-15-boradispiro[5.0.5.3]pentadec-14-yl)-phenyl]methyl-1,4,7,10,13-pentaazacyclopentadecane

ID: ALA5220449

Chembl Id: CHEMBL5220449

PubChem CID: 168299731

Max Phase: Preclinical

Molecular Formula: C29H50BN5O2

Molecular Weight: 511.56

Names and Identifiers

Canonical SMILES:  c1ccc(B2OC3(CCCCC3)C3(CCCCC3)O2)c(CN2CCNCCNCCNCCNCC2)c1

Standard InChI:  InChI=1S/C29H50BN5O2/c1-5-11-28(12-6-1)29(13-7-2-8-14-29)37-30(36-28)27-10-4-3-9-26(27)25-35-23-21-33-19-17-31-15-16-32-18-20-34-22-24-35/h3-4,9-10,31-34H,1-2,5-8,11-25H2

Standard InChI Key:  CYPCXSAPTCOODL-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5220449

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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: 511.56

Molecular Weight (Monoisotopic): 511.4058

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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