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benzyl N-[(2S)-1-[[1-[3-(6-amino-2-methoxypurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate , CAS No.B609251, Inhibitor of calpain 1

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benzyl N-[(2S)-1-[[1-[3-(6-amino-2-methoxypurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate , CAS No.B609251, Inhibitor of calpain 1

Moligand™

PubChem CID: 25195974

Item Number

B609251

Grouped product items
SKU	Size	Availability	Price	Qty
B609251-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
B609251-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

calpain 1 Inhibitor

Basic Description

Synonyms	Cbz-Leu-D,L-Abu-CONH-(CH(2))(3)-2-methoxyadenin-9-yl;compound 4b
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of calpain 1

Associated Targets(Human)

CTSB Tchem Cathepsin B (1 Activities)

Discover Target: CTSB

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

CAPN1 Tchem Calpain-1 catalytic subunit (0 Activities)

Discover Target: CAPN1

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

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

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

CAPN2 Tchem Calpain 2 (185 Activities)

Discover Target: CAPN2

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

Associated Targets(non-human)

CAPN1 Calpain 1 (219 Activities)

Discover Target: CAPN1

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

Names and Identifiers

IUPAC Name	benzyl N-[(2S)-1-[[1-[3-(6-amino-2-methoxypurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
INCHI	InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1
InChi Key	MBPXUEHDROHPFW-ANYOKISRSA-N
Canonical SMILES	CCC(C(=O)C(=O)NCCCn1cnc2c1nc(OC)nc2N)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C
Isomeric SMILES	CCC(C(=O)C(=O)NCCCN1C=NC2=C(N=C(N=C21)OC)N)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3
PubChem CID	25195974

Database links

PubChem CID	25195974
ChEMBL Ligand	CHEMBL1240873

Certificates

Certificate of Analysis(COA)

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References

1. Ovat A, Li ZZ, Hampton CY, Asress SA, Fernández FM, Glass JD, Powers JC. (2010) Peptidyl alpha-ketoamides with nucleobases, methylpiperazine, and dimethylaminoalkyl substituents as calpain inhibitors.. J Med Chem, 53 (17): (6326-36). [PMID:20690647]

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