conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01304

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.

cpd01304


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
CGYGPKKKRKVGG N-[5-[(6-chloro-2-methoxy-9-acridinyl)amino]pentyl]-4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-cyclohexanecarboxamide
Identification
ConjuPepDB ID

cpd01304

Smiles
Molecular weight

1939.01

Molecular formula

C91H139ClN24O19S

Chemical name
Peptide information
Sequence (one letter)

CGYGPKKKRKVGG

Length

13

Peptide name

N/A

External ID
CAS number

872979-91-4

Other information
Application

DNA binding

Additional function

Transport into the nucleus

Pharmacological class

other

Conjugate type

sulfide

Linker

no

Small molecule

N-[5-[(6-chloro-2-methoxy-9-acridinyl)amino]pentyl]-4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-cyclohexanecarboxamide

Small molecule CAS

872854-14-3

Structure method

1H and 13C NMR, HPLC

NMR solvent

CDCl3

Calculated properties
LogP

-5.97632

Rotatable bonds

61

H bond donor

23

H bond acceptor

29

Polar surface area (PSA)

690.57000

Citations
ID Title Year Authors Journal DOI

cpdart0200

Synthesis of acridine-nuclear localization signal (NLS) conjugates and evaluation of their impact on lipoplex and polyplex-based transfection

2005

Boulanger, Caroline; Di Giorgio, Christophe; Vierling, Pierre

European Journal of Medicinal Chemistry

..