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View Conjugates details

ConjuPepDB ID: cpd01297

Chemical structure


molecule
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cpd01297


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
CRQIKIWFQNRRMKWKK maleimide Paclitaxel
Identification
ConjuPepDB ID

cpd01297

Smiles
Molecular weight

3352.66

Molecular formula

C161H229N37O38S2

Chemical name
Peptide information
Sequence (one letter)

CRQIKIWFQNRRMKWKK

Length

17

Peptide name

Penetratin

External ID
CAS number

254893-85-1

Other information
Application

Anticancer therapy, human lung and breast cancer cell lines

Additional function

Improving solubility an cell penetration

Pharmacological class

anticancer

Conjugate type

sulfide

Linker

N/A

Linker Type

maleimide

Small molecule

Paclitaxel

Small molecule CAS

33069-62-4

Structure method

1H and 13C NMR, RP-HPLC

NMR solvent

CDCl8

Calculated properties
LogP

-6.67927

Rotatable bonds

104

H bond donor

39

H bond acceptor

47

Polar surface area (PSA)

1244.29000

Citations
ID Title Year Authors Journal DOI

cpdart0197

Synthesis and biological activity of conjugates between paclitaxel and the cell delivery vector penetratin

2006

Wang, Shudong; Zhelev, Nikolai Z.; Duff, Susan; Fischer, Peter M.

Bioorganic & Medicinal Chemistry

..