Skip to the beginning of the images gallery

(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

Moligand™

PubChem CID: 145946134

Item Number

S609120

Grouped product items
SKU	Size	Availability	Price	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

View related series

cathepsin D Inhibitor

Synonyms

compound 33

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cathepsin D

Associated Targets

REN Tclin Renin 0 Activities

Discover Target: REN

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CTSD Tchem Cathepsin D 1 Activities

Discover Target: CTSD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BACE1 Tchem Beta-secretase 1 0 Activities

Discover Target: BACE1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

RCSB PDB Ligand

S43

PubChem CID

145946134

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]
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]
3. Knight CG, Barrett AJ. (1976) Interaction of human cathepsin D with the inhibitor pepstatin.. Biochem J, 155 (1): (117-25). [PMID:938470]

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

(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

Basic Description

Associated Targets

REN Tclin Renin 0 Activities

CTSD Tchem Cathepsin D 1 Activities

BACE1 Tchem Beta-secretase 1 0 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator