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(4S,5S,9S)-4-Benzyl-5-hydroxy-9-isopropyl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione , CAS No.S609120, Inhibitor of cathepsin D

Item Number
S609120
Grouped product items
SKUSizeAvailabilityPrice Qty
S609120-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
S609120-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90
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cathepsin D Inhibitor

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of cathepsin D

Associated Targets(Human)

CTSD Tchem Cathepsin D (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CTSD Tchem Cathepsin D (3201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
REN Tclin Renin (5251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NHDF (1164 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Papain (844 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
npr Thermolysin (425 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PEP4 Saccharopepesin (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (4S,5S,9S)-4-Benzyl-5-hydroxy-9-isopropyl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione
INCHI InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1
InChi Key ISMDILRWKSYCOD-GNKBHMEESA-N
Canonical SMILES O=C1OCCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]([C@@H](N1)Cc1ccccc1)O)C(C)C
Isomeric SMILES CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)CC2=CC=CC=C2
PubChem CID 145946134

Certificates

Certificate of Analysis(COA)

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Related Documents

 SDS

 Specification Sheet

References

1. Dubey V, Luqman S.  (2017)  Cathepsin D as a Promising Target for the Discovery of Novel Anticancer Agents..  Curr Cancer Drug Targets,  17  (5): (404-422).  [PMID:28215160] [10.1021/op500134e]
2. Houštecká R, Hadzima M, Fanfrlík J, Brynda J, Pallová L, Hánová I, Mertlíková-Kaiserová H, Lepšík M, Horn M, Smrčina M et al..  (2020)  Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis..  J Med Chem,  63  (4): (1576-1596).  [PMID:32003991] [10.1021/op500134e]
3. Knight CG, Barrett AJ.  (1976)  Interaction of human cathepsin D with the inhibitor pepstatin..  Biochem J,  155  (1): (117-25).  [PMID:938470] [10.1021/op500134e]

Solution Calculators

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