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5-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide , CAS No.S609350, Inhibitor of kallikrein related peptidase 6

5-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide , CAS No.S609350, Inhibitor of kallikrein related peptidase 6

Item Number

S609350

Grouped product items
SKU	Size	Availability	Price	Qty
S609350-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S609350-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Basic Description

Synonyms	compound 5
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of kallikrein related peptidase 6

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

IUPAC Name	5-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide
INCHI	InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1
InChi Key	KKFJNRXJRRYNRJ-VWLOTQADSA-N
Canonical SMILES	COc1ccc2c(c1)cc(cc2)S(=O)(=O)N([C@H]1CCN(C1=O)Cc1ccc(s1)C(=N)N)Cc1ccccc1
Isomeric SMILES	COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)[C@H]4CCN(C4=O)CC5=CC=C(S5)C(=N)N
PubChem CID	18392356

ChEMBL Ligand	CHEMBL2047313
PubChem CID	18392356

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1. Liang G, Chen X, Aldous S, Pu SF, Mehdi S, Powers E, Giovanni A, Kongsamut S, Xia T, Zhang Y et al.. (2012) Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.. ACS Med Chem Lett, 3 (2): (159-64). [PMID:24900446]

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