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View Conjugates details

ConjuPepDB ID: cpd00645

Chemical structure


molecule
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cpd00645


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

cpd00645

Smiles
Inchi Key

InChIKey=QIGCOWVQNRPUKK-CHXIMQICSA-N

Molecular weight

1591.71

Molecular formula

C68H101N23O18S2

Chemical name
Peptide information
Sequence (one letter)

XXPRGGSVLVXGC

Length

13

Peptide name

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

External ID
CAS number

1393439-70-7

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

-7.78520

Rotatable bonds

20

H bond donor

19

H bond acceptor

28

Polar surface area (PSA)

635.58000

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

..