Elenbecestat | E2609 | CAS#1388149-39-0 | BACE inhibitor

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

MedKoo CAT#: 561024

CAS#: 1388149-39-0 (free base)

Description: 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

CAS# 1388149-39-0 (free base)

Instruction

Theoretical Analysis

MedKoo Cat#: 561024
Name: Elenbecestat free base
CAS#: 1388149-39-0 (free base)
Chemical Formula: C19H18F3N5O2S
Exact Mass: 437.11
Molecular Weight: 437.441
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
5mg	USD 450	2 Weeks
25mg	USD 1450	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 1388149-39-0 (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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	Soluble in DMSO	80.0	182.88

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.

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.

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