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View Conjugates details

ConjuPepDB ID: cpd01255

Chemical structure


molecule
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cpd01255


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XRGDS 2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S)-
Identification
ConjuPepDB ID

cpd01255

Smiles
Molecular weight

783.319

Molecular formula

C35H45N9O12

Chemical name
Peptide information
Sequence (one letter)

XRGDS

Length

5

Peptide name

N/A

External ID
CAS number

910293-36-6

Other information
Application

Antithrombotic

Additional function

Free radical scavenging

Pharmacological class

other

Conjugate type

amide

Linker

no

Small molecule

2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(1,1-dimethylethyl) ester, (3S)-

Small molecule CAS

918539-33-0

Structure method

1H and 13C NMR, RP-HPLC-ESI-MS

NMR solvent

CD3OD+TFA

Calculated properties
LogP

-6.83314

Rotatable bonds

19

H bond donor

13

H bond acceptor

16

Polar surface area (PSA)

339.64000

Citations
ID Title Year Authors Journal DOI

cpdart0190

Dual-acting agents that possess free radical scavenging and antithrombotic activities: Design, synthesis, and evaluation of phenolic tetrahydro-β-carboline RGD peptide conjugates

2006

Bi, Wei; Bi, Lanrong; Cai, Jianhui; Liu, Sanguang; Peng, Shiqi; Fischer, Nicholas O.; Tok, Jeffrey B.-H.; Wang, Guohua

Bioorganic & Medicinal Chemistry

..