LY2811376
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MedKoo CAT#: 510337

CAS#: 1194044-20-6

Description: LY2811376 is a potent and selective BACE1 inhibitor (IC50 = 239 nM for the synthetic peptide) that demonstrates ~10-fold selectivity over BACE2 and >50-fold selectivity over the aspartyl proteases cathepsin D, pepsin, and renin.3 LY2811376 treatment induces Aβ5-X peptides through alternative amyloid precursor protein cleavage. The β-secretase enzyme, β-site amyloid precursor protein-cleaving enzyme 1 (BACE1), cleaves amyloid precursor protein (APP) in the first step in β-amyloid (Aβ) peptide production. Thus, BACE1 is a key target for candidate disease-modifying treatment of Alzheimer's disease.


Chemical Structure

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LY2811376
CAS# 1194044-20-6

Theoretical Analysis

MedKoo Cat#: 510337
Name: LY2811376
CAS#: 1194044-20-6
Chemical Formula: C15H14F2N4S
Exact Mass: 320.09072
Molecular Weight: 320.36
Elemental Analysis: C, 56.24; H, 4.40; F, 11.86; N, 17.49; S, 10.01

Price and Availability

Size Price Availability Quantity
10.0mg USD 250.0 2 Weeks
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 850.0 2 Weeks
200.0mg USD 1250.0 2 Weeks
500.0mg USD 1850.0 2 Weeks
1.0g USD 3450.0 2 Weeks
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Synonym: LY2811376; LY-2811376; LY 2811376.

IUPAC/Chemical Name: (S)-4-(2,4-difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

InChi Key: MJQMRGWYPNIERM-HNNXBMFYSA-N

InChi Code: InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1

SMILES Code: NC1=N[C@](C)(C2=CC(C3=CN=CN=C3)=C(F)C=C2F)CCS1

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

Preparing Stock Solutions

The following data is based on the product molecular weight 320.36 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.

Recalculate based on batch purity %
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

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1: Filser S, Ovsepian SV, Masana M, Blazquez-Llorca L, Brandt Elvang A, Volbracht C, Müller MB, Jung CK, Herms J. Pharmacological Inhibition of BACE1 Impairs Synaptic Plasticity and Cognitive Functions. Biol Psychiatry. 2014 Oct 29. pii: S0006-3223(14)00793-8. doi: 10.1016/j.biopsych.2014.10.013. [Epub ahead of print] PubMed PMID: 25599931.

2: Lachno DR, Evert BA, Maloney K, Willis BA, Talbot JA, Vandijck M, Dean RA. Validation and Clinical Utility of ELISA Methods for Quantification of Amyloid-β Peptides in Cerebrospinal Fluid Specimens from Alzheimer's Disease Studies. J Alzheimers Dis. 2014 Dec 29. [Epub ahead of print] PubMed PMID: 25547638.

3: Portelius E, Dean RA, Andreasson U, Mattsson N, Westerlund A, Olsson M, Demattos RB, Racke MM, Zetterberg H, May PC, Blennow K. β-site amyloid precursor protein-cleaving enzyme 1(BACE1) inhibitor treatment induces Aβ5-X peptides through alternative amyloid precursor protein cleavage. Alzheimers Res Ther. 2014 Nov 17;6(5-8):75. doi: 10.1186/s13195-014-0075-0. eCollection 2014. PubMed PMID: 25404952; PubMed Central PMCID: PMC4233234.

4: Mikulca JA, Nguyen V, Gajdosik DA, Teklu SG, Giunta EA, Lessa EA, Tran CH, Terak EC, Raffa RB. Potential novel targets for Alzheimer pharmacotherapy: II. Update on secretase inhibitors and related approaches. J Clin Pharm Ther. 2014 Feb;39(1):25-37. doi: 10.1111/jcpt.12112. Epub 2013 Dec 8. Review. PubMed PMID: 24313554.

5: Cheret C, Willem M, Fricker FR, Wende H, Wulf-Goldenberg A, Tahirovic S, Nave KA, Saftig P, Haass C, Garratt AN, Bennett DL, Birchmeier C. Bace1 and Neuregulin-1 cooperate to control formation and maintenance of muscle spindles. EMBO J. 2013 Jul 17;32(14):2015-28. doi: 10.1038/emboj.2013.146. Epub 2013 Jun 21. PubMed PMID: 23792428; PubMed Central PMCID: PMC3715864.

6: Liu X, Wong H, Scearce-Levie K, Watts RJ, Coraggio M, Shin YG, Peng K, Wildsmith KR, Atwal JK, Mango J, Schauer SP, Regal K, Hunt KW, Thomas AA, Siu M, Lyssikatos J, Deshmukh G, Hop CE. Mechanistic pharmacokinetic-pharmacodynamic modeling of BACE1 inhibition in monkeys: development of a predictive model for amyloid precursor protein processing. Drug Metab Dispos. 2013 Jul;41(7):1319-28. doi: 10.1124/dmd.112.050864. Epub 2013 Apr 12. PubMed PMID: 23584887.

7: Lu Y, Barton HA, Leung L, Zhang L, Hajos-Korcsok E, Nolan CE, Liu J, Becker SL, Wood KM, Robshaw AE, Taylor CK, O'Neill BT, Brodney MA, Riddell D. Cerebrospinal fluid β-Amyloid turnover in the mouse, dog, monkey and human evaluated by systematic quantitative analyses. Neurodegener Dis. 2013;12(1):36-50. doi: 10.1159/000341217. Epub 2012 Aug 21. PubMed PMID: 22922480.

8: Lachno DR, Emerson JK, Vanderstichele H, Gonzales C, Martényi F, Konrad RJ, Talbot JA, Lowe SL, Oefinger PE, Dean RA. Validation of a multiplex assay for simultaneous quantification of amyloid-β peptide species in human plasma with utility for measurements in studies of Alzheimer's disease therapeutics. J Alzheimers Dis. 2012;32(4):905-18. doi: 10.3233/JAD-2012-121075. PubMed PMID: 22886018.

9: May PC, Dean RA, Lowe SL, Martenyi F, Sheehan SM, Boggs LN, Monk SA, Mathes BM, Mergott DJ, Watson BM, Stout SL, Timm DE, Smith Labell E, Gonzales CR, Nakano M, Jhee SS, Yen M, Ereshefsky L, Lindstrom TD, Calligaro DO, Cocke PJ, Greg Hall D, Friedrich S, Citron M, Audia JE. Robust central reduction of amyloid-β in humans with an orally available, non-peptidic β-secretase inhibitor. J Neurosci. 2011 Nov 16;31(46):16507-16. doi: 10.1523/JNEUROSCI.3647-11.2011. PubMed PMID: 22090477.



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