U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H43N7O11
Molecular Weight 737.7562
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MC-Val-Cit-PAB-PNP

SMILES

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC2=CC=C(COC(=O)OC3=CC=C(C=C3)[N+]([O-])=O)C=C2

InChI

InChIKey=HYSPJPGXSALJRR-DHIFEGFHSA-N
InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P07858
Gene ID: 1508.0
Gene Symbol: CTSB
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Cathepsin B-labile dipeptide linkers for lysosomal release of doxorubicin from internalizing immunoconjugates: model studies of enzymatic drug release and antigen-specific in vitro anticancer activity.
2002 Jul-Aug
Antineoplastic Agents. 605. Isoquinstatins.
2018 Mar 23
Novel PIKK inhibitor antibody-drug conjugates: Synthesis and anti-tumor activity.
2019 Apr 1
Name Type Language
MC-Val-Cit-PAB-PNP
Common Name English
N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide
Systematic Name English
MC-Val-Cit-PABC-PNP
Common Name English
L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101100278
Created by admin on Sat Dec 16 19:16:18 GMT 2023 , Edited by admin on Sat Dec 16 19:16:18 GMT 2023
PRIMARY
CAS
159857-81-5
Created by admin on Sat Dec 16 19:16:18 GMT 2023 , Edited by admin on Sat Dec 16 19:16:18 GMT 2023
PRIMARY
FDA UNII
QY7B3AFP6T
Created by admin on Sat Dec 16 19:16:18 GMT 2023 , Edited by admin on Sat Dec 16 19:16:18 GMT 2023
PRIMARY
PUBCHEM
57587849
Created by admin on Sat Dec 16 19:16:18 GMT 2023 , Edited by admin on Sat Dec 16 19:16:18 GMT 2023
PRIMARY