Skip to Content
Merck
All Photos(1)

Documents

SML3229

Sigma-Aldrich

LY3000328

≥95% (HPLC)

Synonym(s):

(3R,4S)-4-(4-Fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate, LY 3000328, LY-3000328, N-[(3R,4S)-3,4-Dihydro-3-[[(methylamino)carbonyl]oxy]-6-[4-(3-oxetanyl)-1-piperazinyl]-2H-1-benzopyran-4-yl]-4-fluorobenzamide

Sign Into View Organizational & Contract Pricing


About This Item

Empirical Formula (Hill Notation):
C25H29FN4O5
CAS Number:
Molecular Weight:
484.52
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

Assay

≥95% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

SMILES string

O=C(C(C=C1)=CC=C1F)N[C@H]2C3=CC(N4CCN(C5COC5)CC4)=CC=C3OC[C@@H]2OC(NC)=O

InChI

1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1

InChI key

NDEBZCZEAVMSQF-GOTSBHOMSA-N

Biochem/physiol Actions

LY3000328 is an orally active, non-covalent, potent and selective cathepsin S (Cat S, Cat-S, CatS, CTSS) inhibitor (human/mouse CatS IC50 = 7.7/1.67 nM) that targets the S2 and S3 subsites without interacting with the active site Cys25. LY3000328 prevents high glucose-induced human aortic smooth muscle cells (SMCs) osteogenic transformation in cultures (1 µM) and displays in vivo therapeutic efficacy in murine models of CaCl2-induced abdominal aortic aneurysm (AAA) (1-10 mg/kg bid po) and CD4+ T cell-mediated colitis induction (0.1 mg/0.2 mL/mouse via daily i.p.).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Christopher D Payne et al.
British journal of clinical pharmacology, 78(6), 1334-1342 (2014-07-22)
The aim of this study was to assess the safety and tolerability, pharmacokinetics and pharmacodynamics of LY3000328 when administered as single escalating doses to healthy volunteers. This was a phase 1, placebo-controlled, dose escalation study with LY3000328 in 21 healthy
Xiaobing Yao et al.
Molecular medicine reports, 20(1), 141-150 (2019-05-23)
As a member of the cysteine protease family, cathepsin S (CTSS) serves an important role in diseases such as cancer, arthritis and atherosclerosis. Nevertheless, its role in renal fibrosis is unknown. In the present study, the effects of CTSS on
Santhosh Kumar Vr et al.
Journal of the American Society of Nephrology : JASN, 27(6), 1635-1649 (2015-11-15)
Endothelial dysfunction is a central pathomechanism in diabetes-associated complications. We hypothesized a pathogenic role in this dysfunction of cathepsin S (Cat-S), a cysteine protease that degrades elastic fibers and activates the protease-activated receptor-2 (PAR2) on endothelial cells. We found that
Prabhakar K Jadhav et al.
ACS medicinal chemistry letters, 5(10), 1138-1142 (2014-10-15)
Cathepsin S (Cat S) plays an important role in many pathological conditions, including abdominal aortic aneurysm (AAA). Inhibition of Cat S may provide a new treatment for AAA. To date, several classes of Cat S inhibitors have been reported, many

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service