conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01496

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd01496


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XASXQSL Doxorubicin
Identification
ConjuPepDB ID

cpd01496

Smiles
Molecular weight

1559.66

Molecular formula

C78H97N9O25

Chemical name
Peptide information
Sequence (one letter)

XASXQSL

Length

7

Peptide name

N/A

External ID
CAS number

440357-45-9

Other information
Application

Synthesis

Additional function

Anyalitics

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

Doxorubicin

Small molecule CAS

23214-92-8

Structure method

HPLC, FT-IR

Calculated properties
LogP

-0.39333

Rotatable bonds

33

H bond donor

16

H bond acceptor

24

Polar surface area (PSA)

534.14000

Citations
ID Title Year Authors Journal DOI

cpdart0231

Employment of on-line FT-IR spectroscopy to monitor the deprotection of a 9-fluorenylmethyl protected carboxylic acid peptide conjugate of doxorubicin

2002

Cameron, Mark; Zhou, George X.; Hicks, Micheal B.; Antonucci, Vincent; Ge, Zhihong; Lieberman, David R.; Lynch, Joesph E.; Shi, Yao-Jun

Journal of Pharmaceutical and Biomedical Analysis

..