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View Conjugates details

ConjuPepDB ID: cpd01185

Chemical structure


molecule
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cpd01185


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
NVPGNVPG PEG O-6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1→3)-O-[6-O-(phenylmethyl)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-β-D-glucopyranosyl azide
Identification
ConjuPepDB ID

cpd01185

Smiles
Inchi Key

InChIKey=BJWCRUNVYWJFNW-UHFFFAOYSA-N

Molecular weight

2833.23

Molecular formula

C116H192N16O64

Chemical name
Peptide information
Sequence (one letter)

NVPGNVPG

Length

8

Peptide name

N/A

External ID
CAS number

930806-34-1

Other information
Application

Synthesis

Additional function

enhanced inhibition of E-selectin binding

Pharmacological class

anticancer

Conjugate type

amide

Linker

N/A

Linker Type

PEG

Small molecule

O-6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1→3)-O-[6-O-(phenylmethyl)-β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-β-D-glucopyranosyl azide

Small molecule CAS

161814-50-2

Structure method

1H NMR

NMR solvent

Me2SO-d7

Calculated properties
LogP

-22.86985

Rotatable bonds

66

H bond donor

38

H bond acceptor

64

Polar surface area (PSA)

1170.74000

Citations
ID Title Year Authors Journal DOI

cpdart0182

Spacer-separated sialyl Lewisx cyclo-peptide conjugates as potential E-selectin ligands

2007

Herzner, Holger; Kunz, Horst

Carbohydrate Research

..