MedKoo Cat#: 575199 | Name: AZD-3839 hemifumarate

Description:

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

AZD-3839 hemifumarate is a potent and selective BACE1 inhibitor and clinical candidate for the treatment of Alzheimer's disease.

Chemical Structure

AZD-3839 hemifumarate
AZD-3839 hemifumarate
CAS#1421852-78-9 (hemifumarate)

Theoretical Analysis

MedKoo Cat#: 575199

Name: AZD-3839 hemifumarate

CAS#: 1421852-78-9 (hemifumarate)

Chemical Formula: C52H36F6N10O4

Exact Mass: 978.2825

Molecular Weight: 978.92

Elemental Analysis: C, 63.80; H, 3.71; F, 11.64; N, 14.31; O, 6.54

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
AZD-3839 hemifumarate; AZD3839 hemifumarate; AZD 3839 hemifumarate
IUPAC/Chemical Name
1H-Isoindol-3-amine, 1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-, (1S)-, (2E)-2-butenedioate (2:1)
InChi Key
PFELQGNXJDRKDW-DSSYAJFBSA-N
InChi Code
InChI=1S/C24H16F3N5.C4H4O4/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15;5-3(6)1-2-4(7)8/h1-13,22H,(H2,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-;/m0./s1
SMILES Code
NC1=N[C@@](c2cccc(c2)c3cncnc3)(c4ccnc(c4)C(F)F)c5cccc(F)c15.OC(=O)\C=C\C(=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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 978.92 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. Jeppsson F, Eketjäll S, Janson J, Karlström S, Gustavsson S, Olsson LL, Radesäter AC, Ploeger B, Cebers G, Kolmodin K, Swahn BM, von Berg S, Bueters T, Fälting J. Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease. J Biol Chem. 2012 Nov 30;287(49):41245-57. doi: 10.1074/jbc.M112.409110. Epub 2012 Oct 9. PMID: 23048024; PMCID: PMC3510823.