Semagacestat (LY450139)

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MedKoo CAT#: 315251

CAS#: 425386-60-3

Description: Semagacestat, also known as LY450139 or LY4501; was a candidate drug for a causal therapy against Alzheimer's disease. It was originally developed by Eli Lilly and Ãlan, and clinical trials were conducted by Eli Lilly. Phase III trials included over 3000 patients, but in August 2010, a disappointing interim analysis, in which semagacestat performed less well than the placebo, led to investigators being instructed to tell subjects to stop taking the drug.

Chemical Structure

Semagacestat (LY450139)
CAS# 425386-60-3

Theoretical Analysis

MedKoo Cat#: 315251
Name: Semagacestat (LY450139)
CAS#: 425386-60-3
Chemical Formula: C19H27N3O4
Exact Mass: 361.20016
Molecular Weight: 361.43
Elemental Analysis: C, 63.14; H, 7.53; N, 11.63; O, 17.71

Price and Availability

Size Price Availability Quantity
10.0mg USD 190.0 2 Weeks
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 950.0 2 Weeks
200.0mg USD 1650.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3650.0 2 Weeks
2.0g USD 4650.0 2 Weeks
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Synonym: LY4501; LY-4501; LY 4501; LY450139; LY-450139; LY 450139; Semagacestat.

IUPAC/Chemical Name: (S)-2-hydroxy-3-methyl-N-((S)-1-(((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)amino)-1-oxopropan-2-yl)butanamide

SMILES Code: CC(C)[C@H](O)C(N[C@@H](C)C(N[C@@H]1C(N(C)CCC2=CC=CC=C12)=O)=O)=O

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.

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 361.43 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: Ross JS, Imbimbo BP. Are γ-secretase inhibitors detrimental for Alzheimer's disease patients? J Alzheimers Dis. 2010 Jan 1;22(2):401-4. PubMed PMID: 21149978.

2: Kelleher RJ 3rd, Shen J. Genetics. Gamma-secretase and human disease. Science. 2010 Nov 19;330(6007):1055-6. PubMed PMID: 21097925.

3: Cummings J. What can be inferred from the interruption of the semagacestat trial for treatment of Alzheimer's disease? Biol Psychiatry. 2010 Nov 15;68(10):876-8. PubMed PMID: 21035622.

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8: Panza F, Frisardi V, Imbimbo BP, Capurso C, Logroscino G, Sancarlo D, Seripa D, Vendemiale G, Pilotto A, Solfrizzi V. REVIEW: γ-Secretase inhibitors for the treatment of Alzheimer's disease: The current state. CNS Neurosci Ther. 2010 Oct;16(5):272-84. doi: 10.1111/j.1755-5949.2010.00164.x. Epub 2010 Jun 16. PubMed PMID: 20560993.

9: Portelius E, Dean RA, Gustavsson MK, Andreasson U, Zetterberg H, Siemers E, Blennow K. A novel Abeta isoform pattern in CSF reflects gamma-secretase inhibition in Alzheimer disease. Alzheimers Res Ther. 2010 Mar 29;2(2):7. PubMed PMID: 20350302; PubMed Central PMCID: PMC2876785.

10: Raybon JJ, Albright CF. In response to "a gamma-secretase inhibitor decreases amyloid-beta production in the central nervous system". Ann Neurol. 2010 Jan;67(1):143-4; author reply 144-5. PubMed PMID: 20186950.