Umibecestat HCl

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MedKoo CAT#: 533015

CAS#: 2365306-62-1 (HCl)

Description: Umibecestat, also known as CNP-520, is a beta-secretase inhibitor and is a drug candidate for prevention trials in Alzheimer's disease. CNP520 has a selectivity, pharmacodynamics, and distribution profile suitable for AD prevention studies. CNP520 reduced brain and cerebrospinal fluid (CSF) Aβ in rats and dogs, and Aβ plaque deposition in APP-transgenic mice. CNP520 reduces Aβ load and neuroinflammation in APP‐transgenic mice


Chemical Structure

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Umibecestat HCl
CAS# 2365306-62-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 533015
Name: Umibecestat HCl
CAS#: 2365306-62-1 (HCl)
Chemical Formula: C19H17Cl3F7N5O2
Exact Mass: 0.00
Molecular Weight: 586.717
Elemental Analysis: C, 38.90; H, 2.92; Cl, 18.13; F, 22.67; N, 11.94; O, 5.45

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
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Related CAS #: 1387560-01-1 (free base)   2365306-62-1 (HCl)   2365306-56-3 (fumarate)   2365306-58-5 (tatrate)   2365306-75-6 (citrate)    

Synonym: CNP520; CNP 520; CNP-520; Umibecestat HCl; Umibecestat hydrochloride

IUPAC/Chemical Name: N-{6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl}-3-chloro-5- (trifluoromethyl)pyridine-2-carboxamide dihydrochloride

InChi Key: KBPLESWWYQZTNY-UXHRTOHASA-N

InChi Code: InChI=1S/C19H15ClF7N5O2.2ClH/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24;;/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33);2*1H/t16-,17+;;/m0../s1

SMILES Code: O=C(C1=NC=C(C(F)(F)F)C=C1Cl)NC2=NC([C@]3(C)CO[C@](C(F)(F)F)(C)C(N)=N3)=C(F)C=C2.[H]Cl.[H]Cl

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: Alzheimer's disease (AD) is the most common age-dependent neurodegenerative disease which impairs cognitive function and gradually causes patients to be unable to lead normal daily lives. While the etiology of AD remains an enigma, excessive accumulation of β-amyloid peptide (Aβ) is widely believed to induce pathological changes and cause dementia in brains of AD patients. BACE1 was discovered to initiate the cleavage of amyloid precursor protein (APP) at the β-secretase site.

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 586.72 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: 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. PubMed PMID: 30277096.

2: Neumann U, Ufer M, Jacobson LH, Rouzade-Dominguez ML, Huledal G, Kolly C, Lüönd RM, Machauer R, Veenstra SJ, Hurth K, Rueeger H, Tintelnot-Blomley M, Staufenbiel M, Shimshek DR, Perrot L, Frieauff W, Dubost V, Schiller H, Vogg B, Beltz K, Avrameas A, Kretz S, Pezous N, Rondeau JM, Beckmann N, Hartmann A, Vormfelde S, David OJ, Galli B, Ramos R, Graf A, Lopez Lopez C. The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease. EMBO Mol Med. 2018 Nov;10(11). pii: e9316. doi: 10.15252/emmm.201809316. PubMed PMID: 30224383; PubMed Central PMCID: PMC6220303.

3: Lopez Lopez C, Caputo A, Liu F, Riviere ME, Rouzade-Dominguez ML, Thomas RG, Langbaum JB, Lenz R, Reiman EM, Graf A, Tariot PN. The Alzheimer's Prevention Initiative Generation Program: Evaluating CNP520 Efficacy in the Prevention of Alzheimer's Disease. J Prev Alzheimers Dis. 2017;4(4):242-246. doi: 10.14283/jpad.2017.37. PubMed PMID: 29181489.

4: Yan R. Stepping closer to treating Alzheimer's disease patients with BACE1 inhibitor drugs. Transl Neurodegener. 2016 Jul 14;5:13. doi: 10.1186/s40035-016-0061-5. eCollection 2016. Review. PubMed PMID: 27418961; PubMed Central PMCID: PMC4944430. @2018