WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407215
Description: LY3000328 is a Cathepsin S inhibitor with excellent in vitro potency and selectivity against other cysteine proteases. LY3000328 is currently in clinical trials. 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.
MedKoo Cat#: 407215
Chemical Formula: C25H29FN4O5
Exact Mass: 484.2122
Molecular Weight: 484.5284
Elemental Analysis: C, 61.97; H, 6.03; F, 3.92; N, 11.56; O, 16.51
Synonym: LY3000328; LY-3000328; LY 3000328.
IUPAC/Chemical Name: (3R,4S)-4-(4-fluorobenzamido)-6-(4-(oxetan-3-yl)piperazin-1-yl)chroman-3-yl methylcarbamate
InChi Key: NDEBZCZEAVMSQF-GOTSBHOMSA-N
InChi Code: 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
SMILES Code: O=C(O[C@H]1COC2=C(C=C(N3CCN(C4COC4)CC3)C=C2)[C@@H]1NC(C5=CC=C(F)C=C5)=O)NC
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 484.5284 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Jadhav PK, Schiffler MA, Gavardinas K, Kim EJ, Matthews DP, Staszak MA, Coffey
DS, Shaw BW, Cassidy KC, Brier RA, Zhang Y, Christie RM, Matter WF, Qing K,
Durbin JD, Wang Y, Deng GG. Discovery of Cathepsin S Inhibitor LY3000328 for the
Treatment of Abdominal Aortic Aneurysm. ACS Med Chem Lett. 2014 Aug
27;5(10):1138-42. doi: 10.1021/ml500283g. eCollection 2014 Oct 9. PubMed PMID:
25313327; PubMed Central PMCID: PMC4190634.
2: Payne CD, Deeg MA, Chan M, Tan LH, LaBell ES, Shen T, DeBrota DJ.
Pharmacokinetics and pharmacodynamics of the cathepsin S inhibitor, LY3000328, in
healthy subjects. Br J Clin Pharmacol. 2014 Dec;78(6):1334-42. doi:
10.1111/bcp.12470. PubMed PMID: 25039273; PubMed Central PMCID: PMC4256622.