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(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide , CAS No.S609206, Inhibitor of cathepsin D;Inhibitor of cathepsin E;Inhibitor of pepsinogen A5;Inhibitor of progastricsin

Moligand™

PubChem CID: 10078814

Item Number

S609206

Grouped product items
SKU	Size	Availability	Price	Qty
S609206-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S609206-25mg	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 cathepsin E Inhibitor pepsinogen A5 Inhibitor progastricsin Inhibitor

Basic Description

Synonyms	CHEMBL287423\|137302-35-3\|compound 3 [PMID: 8410973]\|(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide\|Nalpha-[N-(Morpholinosulfonyl)-L-ph
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of cathepsin D;Inhibitor of cathepsin E;Inhibitor of pepsinogen A5;Inhibitor of progastricsin

Associated Targets

CTSE Tchem Cathepsin E 2 Activities

Discover Target: CTSE

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

PGA5 Tclin Pepsin A-5 2 Activities

Discover Target: PGA5

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

REN Tclin Renin 2 Activities

Discover Target: REN

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

PGC Tchem Gastricsin 2 Activities

Discover Target: PGC

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

CTSD Tchem Cathepsin D 2 Activities

Discover Target: CTSD

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

Names and Identifiers

IUPAC Name	(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide
INCHI	InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
InChi Key	MQDDTALXSBQTQP-DTXPUJKBSA-N
Canonical SMILES	C=CC[C@@H](C(=O)N[C@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)CC1CCCCC1)NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1
Isomeric SMILES	C=CC[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)C(C(=O)NCCN2CCOCC2)(F)F)NC(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4
PubChem CID	10078814

PubChem CID

10078814

ChEMBL Ligand

CHEMBL287423

BindingDB Ligand

50008139

References

1. Rao CM, Scarborough PE, Kay J, Batley B, Rapundalo S, Klutchko S, Taylor MD, Lunney EA, Humblet CC, Dunn BM. (1993) Specificity in the binding of inhibitors to the active site of human/primate aspartic proteinases: analysis of P2-P1-P1'-P2' variation.. J Med Chem, 36 (18): (2614-20). [PMID:8410973]

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