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View Conjugates details

ConjuPepDB ID: cpd00642

Chemical structure


molecule
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cpd00642


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XXPRGGSVLVTGC Methotrexate (MTX)
Identification
ConjuPepDB ID

cpd00642

Smiles
Inchi Key

InChIKey=PTCPXMNIVDJYEZ-UEZLZIPWSA-N

Molecular weight

3219.45

Molecular formula

C136H206N46O38S4

Chemical name
Peptide information
Sequence (one letter)

XXPRGGSVLVTGC

Length

13

Peptide name

cIBR peptide (Intercellular adhesion molecule-1 (ICAM-1) fragment), dimer

External ID
CAS number

1393439-73-0

Other information
Application

Anti-inflammatoric therapy, rheumatoid arthritis

Additional function

Targeting leukocytes, improve stability and in vivo efficacy

Conjugate type

amide

Linker

no

Small molecule

Methotrexate (MTX)

Small molecule CAS

59-05-2

Small molecule structure

Structure method

NMR

Calculated properties
LogP

-17.32521

Rotatable bonds

42

H bond donor

40

H bond acceptor

58

Polar surface area (PSA)

1311.62000

Citations
ID Title Year Authors Journal DOI

Cpdart0103

Methotrexate-cIBR conjugate for targeting methotrexate to leukocytes: Conjugate stability and in vivo efficacy in suppressing rheumatoid arthritis

2012

Majumdar, Sumit; Anderson, Meagan E.; Xu, Christine R.; Yakovleva, Tatyana V.; Gu, Leo C.; Malefyt, Thomas R.; Siahaan, Teruna J.

Journal of Pharmaceutical Sciences

..