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ConjuPepDB ID: cpd01152

Chemical structure


molecule
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cpd01152


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
FDFLPENE PEG O-(N-acetyl-4,7,8,9-tetra-O-acetyl-1-methyl-α-neuraminosyl)-(2→3)-O-2,4-di-O-acetyl-6-O-(phenylmethyl)-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-β-D-glucopyranosylamine
Identification
ConjuPepDB ID

cpd01152

Smiles
Molecular weight

3360.38

Molecular formula

C174H209N13O53S

Chemical name
Peptide information
Sequence (one letter)

FDFLPENE

Length

8

Peptide name

N/A

External ID
CAS number

945245-56-7

Other information
Application

Synthesis

Additional function

anti-inflammatory ativity

Pharmacological class

Anti-inflammatory

Conjugate type

amide

Linker

N/A

Linker Type

PEG

Small molecule

O-(N-acetyl-4,7,8,9-tetra-O-acetyl-1-methyl-α-neuraminosyl)-(2→3)-O-2,4-di-O-acetyl-6-O-(phenylmethyl)-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-6-O-(phenylmethyl)-β-D-glucopyranosylamine

Small molecule CAS

930806-14-7

Structure method

1H and 13C NMR, RP-HPLC

NMR solvent

CD3OD

Calculated properties
LogP

11.27860

Rotatable bonds

103

H bond donor

13

H bond acceptor

42

Polar surface area (PSA)

857.78000

Citations
ID Title Year Authors Journal DOI

cpdart0178

(p-Sulfomethyl)phenylalanine as a mimic of O-sulfatyl-tyrosine in synthetic partial sequences of P-Selectin glycoprotein ligand 1 (PSGL-1)

2007

Herzner, Holger; Kunz, Horst

Tetrahedron

..