conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00888

Chemical structure


molecule
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cpd00888


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
VPVP 1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv.
Identification
ConjuPepDB ID

cpd00888

Smiles
Inchi Key

InChIKey=WLUDCCGJQKPLEN-XELQACTASA-N

Molecular weight

1114.53

Molecular formula

C52H82N8O13SSi2

Chemical name
Peptide information
Sequence (one letter)

VPVP

Length

4

Peptide name

tetrapeptide

External ID
CAS number

1203578-16-8

Other information
Application

Synthesis

Additional function

Increase solubility of drug molecules and/or to allow better formulation properties

Conjugate type

amide

Linker

no

Small molecule

1,7-Dioxa-2-thiaspiro[4.4]nonane, 2(1H)-pyrimidinone deriv.

Small molecule CAS

142102-77-0

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

DMSO-d6 or acetone-d6

Calculated properties
LogP

4.81020

Rotatable bonds

20

H bond donor

4

H bond acceptor

13

Polar surface area (PSA)

266.90000

Citations
ID Title Year Authors Journal DOI

Cpdart0125

Application of the Dipeptidyl Peptidase IV (DPPIV/CD26) Based Prodrug Approach to Different Amine-Containing Drugs

2010

Diez-Torrubia, Alberto; Garcia-Aparicio, Carlos; Cabrera, Silvia; De Meester, Ingrid; Balzarini, Jan; Camarasa, Maria-Jose; Velazquez, Sonsoles

Journal of Medicinal Chemistry

..