General Information of This Linker
Linker ID
LIN00041
Linker Name
(6-maleimidocaproyl) hydrazone derivative
Linker Type
Enzyme-sensitive linkers
Structure
Formula
C12H19N3O4S
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 301.368
Lipid-water partition coefficient (xlogp) -0.3016
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Rotatable Bond Count (rotbonds) 8
Canonical smiles
O=C(CCCCCN1C(=O)CC(S)C1=O)NN=CCO
InChI
InChI=1S/C12H19N3O4S/c16-7-5-13-14-10(17)4-2-1-3-6-15-11(18)8-9(20)12(15)19/h5,9,16,20H,1-4,6-8H2,(H,14,17)/b13-5-
InChIKey
VWBYZCVBANWODJ-ACAGNQJTSA-N
Each Peptide-drug Conjugate Related to This Linker
Full Information of The Activity Data of The PDC(s) Related to This Linker
ABD-RPARPAR-DOXO [Investigative]
Obtained from the Model Organism Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Retarded the tumor growth rate
47.09%
Administration Time 20 days
Administration Dosage 3.0 mg/kg doxorubicin equivalent
Description
The doxorubicin, DOXO-EMCH, ABD-RGDK-DOXO, and ABD-RPARPAR-DOXO retarded the tumor growth rate by 24.28, 25.67, 47.78, and 47.09% on day 20, respectively.
In Vivo Model Tumor-bearing BALB/c nude mice.
Half life period 23.88 ± 0.94 h
Revealed Based on the Cell Line Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
11.21 ± 4.54 µM
Evaluation Method CCK-8 assay
Description
Whereas conjugation of a peptide would hinder the passive diffusion route, resulting in higher IC50 values for the peptide-DOX-conjugates (9.27 ± 3.56 uM for ABD-RGDK-DOXO and 11.21 ± 4.54 uM for ABD-RPARPAR-DOXO, respectively).
In Vitro Model Lung adenocarcinoma A-549 cell CVCL_0023
Half life period 23.88 ± 0.94 h
ABD-RGDK-DOXO [Investigative]
Obtained from the Model Organism Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Retarded the tumor growth rate
47.78%
Administration Time 20 days
Administration Dosage 3.0 mg/kg doxorubicin equivalent
Description
The doxorubicin, DOXO-EMCH, ABD-RGDK-DOXO, and ABD-RPARPAR-DOXO retarded the tumor growth rate by 24.28, 25.67, 47.78, and 47.09% on day 20, respectively.
In Vivo Model Tumor-bearing BALB/c nude mice.
Half life period 23.67 ± 0.35 h
Revealed Based on the Cell Line Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
9.27 ± 3.56 µM
Evaluation Method CCK-8 assay
Description
Whereas conjugation of a peptide would hinder the passive diffusion route, resulting in higher IC50 values for the peptide-DOX-conjugates (9.27 ± 3.56 uM for ABD-RGDK-DOXO and 11.21 ± 4.54 uM for ABD-RPARPAR-DOXO, respectively).
In Vitro Model Lung adenocarcinoma A-549 cell CVCL_0023
Half life period 23.67 ± 0.35 h
References
Ref 1 Albumin Binding Domain Fusing R/K-X-X-R/K Sequence for Enhancing Tumor Delivery of Doxorubicin. Mol Pharm. 2017 Nov 6;14(11):3739-3749. doi: 10.1021/acs.molpharmaceut.7b00497. Epub 2017 Oct 9.