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View Conjugates details

ConjuPepDB ID: cpd00519

Chemical structure


molecule
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cpd00519


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
YQWAVXHXX PEG 6-Heptynoic acid
Identification
ConjuPepDB ID

cpd00519

Smiles
Inchi Key

InChIKey=JDOOSWGATOWEBS-RHSYBVFYSA-N

Molecular weight

2032.99

Molecular formula

C115H136N14O18S

Chemical name
Peptide information
Sequence (one letter)

YQWAVXHXX

Length

9

Peptide name

Bombesin (BBN) fragment

External ID
CAS number

1422185-87-2

Other information
Application

Anticancer therapy, photosensitizer

Additional function

Targeting GRP and integrin receptors, fluorescence- and PETimaging

Pharmacological class

anticancer

Conjugate type

amide

Linker

N/A

Linker Type

PEG

Small molecule

6-Heptynoic acid

Small molecule CAS

30964-00-2

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

DMSO-d6

Calculated properties
LogP

12.29010

Rotatable bonds

58

H bond donor

12

H bond acceptor

18

Polar surface area (PSA)

434.14000

Citations
ID Title Year Authors Journal DOI

Cpdart0081

Phthalocyanine-Peptide Conjugates: Receptor-Targeting Bifunctional Agents for Imaging and Photodynamic Therapy

2013

Ranyuk, Elena; Cauchon, Nicole; Klarskov, Klaus; Guerin, Brigitte; van Lier, Johan E.

Journal of Medicinal Chemistry

..