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Peptidases and proteinases
(3S)-3-[[(2S,11S)-11-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carbonyl]amino]-4-oxo-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid , CAS No.S608914, Inhibitor of granzyme B

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(3S)-3-[[(2S,11S)-11-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carbonyl]amino]-4-oxo-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid , CAS No.S608914, Inhibitor of granzyme B

Moligand™

PubChem CID: 44310146

Item Number

S608914

Grouped product items
SKU	Size	Availability	Price	Qty
S608914-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S608914-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

granzyme B Inhibitor

Basic Description

Synonyms	compound 20
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of granzyme B

Associated Targets(Human)

GZMB Tchem Granzyme B (2 Activities)

Discover Target: GZMB

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

CASP3 Tchem Caspase-3 (1 Activities)

Discover Target: CASP3

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

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GZMB Tchem Granzyme B (52 Activities)

Discover Target: GZMB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

INCHI	InChI=1S/C34H38N6O8/c1-5-18(2)27(39(4)19(3)41)31(46)35-23-15-14-20-12-9-13-22-16-25(40(28(20)22)34(23)47)30(45)36-24(17-26(42)43)29(44)33-38-37-32(48-33)21-10-7-6-8-11-21/h6-13,18,23-25,27H,5,14-17H2,1-4H3,(H,35,46)(H,36,45)(H,42,43)/t18-,23-,24-,25-,27-/m0/s1
InChi Key	UCXMBOHIKJZNMQ-GIYJSHOWSA-N
Canonical SMILES	CC[C@@H]([C@H](N(C(=O)C)C)C(=O)N[C@H]1CCc2c3N(C1=O)[C@@H](Cc3ccc2)C(=O)N[C@H](C(=O)c1nnc(o1)c1ccccc1)CC(=O)O)C
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)N[C@H]1CCC2=C3C(=CC=C2)C[C@H](N3C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)C4=NN=C(O4)C5=CC=CC=C5)N(C)C(=O)C
PubChem CID	44310146

Database links

PubChem CID	44310146
ChEMBL Ligand	CHEMBL71654

Certificates

Certificate of Analysis(COA)

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References

1. Willoughby CA, Bull HG, Garcia-Calvo M, Jiang J, Chapman KT, Thornberry NA. (2002) Discovery of potent, selective human granzyme B inhibitors that inhibit CTL mediated apoptosis.. Bioorg Med Chem Lett, 12 (16): (2197-200). [PMID:12127536]

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