MC-Val-Cit-PAB-PNP

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 Search

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

Molecular Formula	C35H43N7O11
Molecular Weight	737.7562
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cathepsin B 9 Target ID: P07858 Gene ID: 1508.0 Gene Symbol: CTSB Target Organism: Homo sapiens (Human) Sources: https://medkoo.com/products/7035 \| https://www.medchemexpress.com/Mc-Val-Cit-PABC-PNP.html	Substrate 661

PubMed

Title	Date	PubMed
Novel PIKK inhibitor antibody-drug conjugates: Synthesis and anti-tumor activity.	2019-04-01	30655215
Antineoplastic Agents. 605. Isoquinstatins.	2018-03-23	28926240
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.	2002-07-18	12121142

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:33:36 GMT 2025` Edited by `admin` on `Wed Apr 02 14:33:36 GMT 2025`
Record UNII	QY7B3AFP6T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MC-Val-Cit-PAB-PNP

Common Name

English

MC-Val-Cit-PABC-PNP

Preferred 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

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 Wed Apr 02 14:33:36 GMT 2025 , Edited by admin on Wed Apr 02 14:33:36 GMT 2025

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CAS

159857-81-5

Created by admin on Wed Apr 02 14:33:36 GMT 2025 , Edited by admin on Wed Apr 02 14:33:36 GMT 2025

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FDA UNII

QY7B3AFP6T

Created by admin on Wed Apr 02 14:33:36 GMT 2025 , Edited by admin on Wed Apr 02 14:33:36 GMT 2025

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PUBCHEM

57587849

Created by admin on Wed Apr 02 14:33:36 GMT 2025 , Edited by admin on Wed Apr 02 14:33:36 GMT 2025

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