conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00060

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd00060


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XVVX 2-[2-(2-Azidoethoxy)ethoxy]acetic acid
Identification
ConjuPepDB ID

cpd00060

Smiles
Inchi Key

InChIKey=NWDWTKGVVDOPFC-YZIJCGCSSA-N

Molecular weight

888.568

Molecular formula

C45H76N6[N-][N+]O10

Chemical name
Peptide information
Sequence (one letter)

XVVX

Length

4

Peptide name

tripeptide

External ID
CAS number

2247055-91-8

Other information
Application

Synthesis, cysteine-Selective conjugation to prepare antibody-drog conjugates

Additional function

Posible applications as various imaging and therapeutic conjugates

Pharmacological class

anticancer

Conjugate type

amide

Linker

no

Small molecule

2-[2-(2-Azidoethoxy)ethoxy]acetic acid

Small molecule CAS

882518-90-3

Small molecule structure

Calculated properties
LogP

2.17313

Rotatable bonds

28

H bond donor

3

H bond acceptor

12

Polar surface area (PSA)

213.66000

Citations
ID Title Year Authors Journal DOI

Cpdart0030

N-Methyl-N-phenylvinylsulfonamides for Cysteine-Selective Conjugation

2018

Huang, Rong; Li, Zhihong; Sheng, Yao; Yu, Jianghui; Wu, Yue; Zhan, Yuexiong; Chen, Hongli; Jiang, Biao

Organic Letters

..