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MedKoo Cat#: 561024 | Name: Elenbecestat free base
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Description:

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

Elenbecestat,also known as E2609 is a BACE1 inhibitor. By inhibiting BACE, a key enzyme in the production of Aβ peptides, E2609 decreases the formation of these peptides which can aggregate into toxic oligomers and protofibrils and eventually form amyloid plaques in the brain. Elenbecestat has been shown to reduce Aβ levels in cerebrospinal fluid, was investigated in two global phase 3 studies in early AD.

Chemical Structure

Elenbecestat free base
Elenbecestat free base
CAS#1388651-30-6 (free base)

Theoretical Analysis

MedKoo Cat#: 561024

Name: Elenbecestat free base

CAS#: 1388651-30-6 (free base)

Chemical Formula: C19H18F3N5O2S

Exact Mass: 437.1133

Molecular Weight: 437.44

Elemental Analysis: C, 52.17; H, 4.15; F, 13.03; N, 16.01; O, 7.31; S, 7.33

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
10mg USD 850.00 2 Weeks
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Related CAS #
1388651-30-6 (free base) Elenbecestat HCl
Synonym
E2609; E-2609; E 2609, Elenbecestat.
IUPAC/Chemical Name
N-(3-((4aS,5R,7aS)-2-amino-5-methyl-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamide
InChi Key
AACUJFVOHGRMTR-DPXNYUHVSA-N
InChi Code
InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1
SMILES Code
O=C(C1=NC=C(C(F)F)N=C1)NC2=CC=C(F)C([C@@]34N=C(N)SC[C@]3([H])[C@@H](C)OC4)=C2
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
More Info
Solvent mg/mL mM
Solubility
Soluble in DMSO 80.0 182.88
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 437.44 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
1: Roberts C, Kaplow J, Giroux M, Krause S, Kanekiyo M. Amyloid and APOE Status of Screened Subjects in the Elenbecestat MissionAD Phase 3 Program. J Prev Alzheimers Dis. 2021;8(2):218-223. doi: 10.14283/jpad.2021.4. PMID: 33569570. 2: Miranda A, Montiel E, Ulrich H, Paz C. Selective Secretase Targeting for Alzheimer's Disease Therapy. J Alzheimers Dis. 2021;81(1):1-17. doi: 10.3233/JAD-201027. PMID: 33749645. 3: Imbimbo BP, Watling M. Investigational BACE inhibitors for the treatment of Alzheimer's disease. Expert Opin Investig Drugs. 2019 Nov;28(11):967-975. doi: 10.1080/13543784.2019.1683160. Epub 2019 Oct 29. PMID: 31661331. 4: Patel S, Bansoad AV, Singh R, Khatik GL. BACE1: A Key Regulator in Alzheimer's Disease Progression and Current Development of its Inhibitors. Curr Neuropharmacol. 2022;20(6):1174-1193. doi: 10.2174/1570159X19666211201094031. PMID: 34852746; PMCID: PMC9886827. 5: Pratsch K, Unemura C, Ito M, Lichtenthaler SF, Horiguchi N, Herms J. New Highly Selective BACE1 Inhibitors and Their Effects on Dendritic Spine Density In Vivo. Int J Mol Sci. 2023 Jul 31;24(15):12283. doi: 10.3390/ijms241512283. PMID: 37569661; PMCID: PMC10418759. 6: Madrasi K, Das R, Mohmmadabdul H, Lin L, Hyman BT, Lauffenburger DA, Albers MW, Rissman RA, Burke JM, Apgar JF, Wille L, Gruenbaum L, Hua F. Systematic in silico analysis of clinically tested drugs for reducing amyloid-beta plaque accumulation in Alzheimer's disease. Alzheimers Dement. 2021 Sep;17(9):1487-1498. doi: 10.1002/alz.12312. Epub 2021 May 2. PMID: 33938131; PMCID: PMC8478725. 7: Bhatia S, Singh M, Sharma P, Mujwar S, Singh V, Mishra KK, Singh TG, Singh T, Ahmad SF. Scaffold Morphing and In Silico Design of Potential BACE-1 (β-Secretase) Inhibitors: A Hope for a Newer Dawn in Anti-Alzheimer Therapeutics. Molecules. 2023 Aug 12;28(16):6032. doi: 10.3390/molecules28166032. PMID: 37630283; PMCID: PMC10459662. 8: Doherty T, Gee M, Maruff P, Smith R, Murphy J, Marsh J, Koschalka L, Martinez M, Irizarry M, Albala B. Increasing the Cognitive Screening Efficiency of Global Phase III Trials in Early Alzheimer Disease: The Cognitive Task Force. Alzheimer Dis Assoc Disord. 2022 Jul-Sep 01;36(3):185-191. doi: 10.1097/WAD.0000000000000508. Epub 2022 May 10. PMID: 35622461. 9: Bullich S, Mueller A, De Santi S, Koglin N, Krause S, Kaplow J, Kanekiyo M, Roé-Vellvé N, Perrotin A, Jovalekic A, Scott D, Gee M, Stephens A, Irizarry M. Evaluation of tau deposition using 18F-PI-2620 PET in MCI and early AD subjects-a MissionAD tau sub-study. Alzheimers Res Ther. 2022 Jul 27;14(1):105. doi: 10.1186/s13195-022-01048-x. PMID: 35897078; PMCID: PMC9327167. 10: Yamashita K, Miura M, Watanabe S, Ishiki K, Arimatsu Y, Kawahira J, Kubo T, Sasaki K, Arai T, Hagino K, Irino Y, Nagai K, Verbel D, Koyama A, Dhadda S, Niiro H, Iwanaga S, Sato T, Yoshida T, Iwata A. Fully automated and highly specific plasma β-amyloid immunoassays predict β-amyloid status defined by amyloid positron emission tomography with high accuracy. Alzheimers Res Ther. 2022 Jun 23;14(1):86. doi: 10.1186/s13195-022-01029-0. PMID: 35739591; PMCID: PMC9219197. 11: Navarro-Gómez N, Valdes-Gonzalez M, Garrido-Suárez BB, Garrido G. Pharmacological Inventions for Alzheimer Treatment in the United States of America: A Revision Patent from 2010 - 2020. J Prev Alzheimers Dis. 2023;10(1):50-68. doi: 10.14283/jpad.2023.2. PMID: 36641610. 12: Panza F, Lozupone M, Solfrizzi V, Sardone R, Piccininni C, Dibello V, Stallone R, Giannelli G, Bellomo A, Greco A, Daniele A, Seripa D, Logroscino G, Imbimbo BP. BACE inhibitors in clinical development for the treatment of Alzheimer's disease. Expert Rev Neurother. 2018 Nov;18(11):847-857. doi: 10.1080/14737175.2018.1531706. Epub 2018 Oct 24. PMID: 30277096.