E2012 | CAS#870843-42-8 | γ-secretase modulator

MedKoo Cat#: 522690 | Name: E2012

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

E2012 is a γ-secretase modulator (GSM). E2012 inhibits 3β-hydroxysterol Δ24-reductase (DHCR24) at the final step in the cholesterol biosynthesis. E2012 induces cataract in the rat by inhibiting DHCR24 at the final step of cholesterol synthesis with associated elevation in desmosterol within the lens, preceded by desmosterol changes that would serve as a predictive safety biomarker for lenticular opacity.

Chemical Structure

E2012

CAS#870843-42-8

Theoretical Analysis

MedKoo Cat#: 522690

Name: E2012

CAS#: 870843-42-8

Chemical Formula: C25H26FN3O2

Exact Mass: 419.2009

Molecular Weight: 419.50

Elemental Analysis: C, 71.58; H, 6.25; F, 4.53; N, 10.02; O, 7.63

Price and Availability

Size	Price	Availability
5mg	USD 350.00	2 Weeks
10mg	USD 550.00	2 Weeks
25mg	USD 950.00	2 Weeks

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Related CAS #

No Data

Synonym

E2012; E-2012; E 2012;

IUPAC/Chemical Name

(S,E)-1-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-one

InChi Key

PUOAETJYKQITMO-LANLRWRYSA-N

InChi Code

InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1

SMILES Code

O=C1N([C@H](C2=CC=C(F)C=C2)C)CCC/C1=C\C3=CC=C(N4C=C(C)N=C4)C(OC)=C3

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 419.50 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: Sjödin S, Andersson KK, Mercken M, Zetterberg H, Borghys H, Blennow K, Portelius E. APLP1 as a cerebrospinal fluid biomarker for γ-secretase modulator treatment. Alzheimers Res Ther. 2015 Dec 22;7(1):77. doi: 10.1186/s13195-015-0160-z. PubMed PMID: 26689589; PubMed Central PMCID: PMC4687145. 2: Yesuvadian R, Krishnamoorthy J, Ramamoorthy A, Bhunia A. Potent γ-secretase inhibitors/modulators interact with amyloid-β fibrils but do not inhibit fibrillation: a high-resolution NMR study. Biochem Biophys Res Commun. 2014 May 16;447(4):590-5. doi: 10.1016/j.bbrc.2014.04.041. Epub 2014 Apr 18. PubMed PMID: 24747079. 3: Nakano-Ito K, Fujikawa Y, Hihara T, Shinjo H, Kotani S, Suganuma A, Aoki T, Tsukidate K. E2012-induced cataract and its predictive biomarkers. Toxicol Sci. 2014 Jan;137(1):249-58. doi: 10.1093/toxsci/kft224. Epub 2013 Oct 1. PubMed PMID: 24085193. 4: Pozdnyakov N, Murrey HE, Crump CJ, Pettersson M, Ballard TE, Am Ende CW, Ahn K, Li YM, Bales KR, Johnson DS. γ-Secretase modulator (GSM) photoaffinity probes reveal distinct allosteric binding sites on presenilin. J Biol Chem. 2013 Apr 5;288(14):9710-20. doi: 10.1074/jbc.M112.398602. Epub 2013 Feb 8. PubMed PMID: 23396974; PubMed Central PMCID: PMC3617273. 5: Borgegard T, Juréus A, Olsson F, Rosqvist S, Sabirsh A, Rotticci D, Paulsen K, Klintenberg R, Yan H, Waldman M, Stromberg K, Nord J, Johansson J, Regner A, Parpal S, Malinowsky D, Radesater AC, Li T, Singh R, Eriksson H, Lundkvist J. First and second generation γ-secretase modulators (GSMs) modulate amyloid-β (Aβ) peptide production through different mechanisms. J Biol Chem. 2012 Apr 6;287(15):11810-9. doi: 10.1074/jbc.M111.305227. Epub 2012 Feb 13. PubMed PMID: 22334705; PubMed Central PMCID: PMC3320929. 6: Portelius E, Gustavsson MK, Zetterberg H, Andreasson U, Blennow K. Evaluation of the performance of novel Aβ isoforms as theragnostic markers in Alzheimer's disease: from the cell to the patient. Neurodegener Dis. 2012;10(1-4):138-40. doi: 10.1159/000334537. Epub 2012 Feb 1. Review. PubMed PMID: 22302034. 7: Portelius E, Van Broeck B, Andreasson U, Gustavsson MK, Mercken M, Zetterberg H, Borghys H, Blennow K. Acute effect on the Aβ isoform pattern in CSF in response to γ-secretase modulator and inhibitor treatment in dogs. J Alzheimers Dis. 2010;21(3):1005-12. doi: 10.3233/JAD-2010-100573. PubMed PMID: 20634579.