WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465568
Description: JNJ-67569762 is a potent and selective BACE1 inhibitor. JNJ-67569762 gave robust dose-dependent BACE1-mediated amyloid β lowering without showing BACE2-dependent hair depigmentation in preclinical models.
MedKoo Cat#: 465568
Chemical Formula: C22H22F4N4O5S
Exact Mass: 530.1247
Molecular Weight: 530.4946
Elemental Analysis: C, 49.81; H, 4.18; F, 14.33; N, 10.56; O, 15.08; S, 6.04
This product is not in stock, which may be available by custom synthesis.
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Synonym: JNJ-67569762; JNJ67569762; JNJ 67569762;
IUPAC/Chemical Name: N-(3-((2S,5R)-6-amino-5-(ethylsulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
InChi Key: NDIQAOIHFVWZJQ-NHCUHLMSSA-N
InChi Code: InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1
SMILES Code: FC(O1)(F)OC2=C1C=C(C(NC3=CC=C(F)C([C@]4(CF)CC[C@](S(=O)(CC)=O)(C)C(N)=N4)=C3)=O)N=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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
The following data is based on the product molecular weight 530.4946 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: Rombouts FJR, Kusakabe KI, Alexander R, Austin N, Borghys H, De Cleyn M, Dhuyvetter D, Gijsen HJM, Hrupka B, Jacobs T, Jerhaoui S, Lammens L, Leclercq L, Tsubone K, Ueno T, Morimoto K, Einaru S, Sumiyoshi H, Van den Bergh A, Vos A, Surkyn M, Teisman A, Moechars D. JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J Med Chem. 2021 Sep 23. doi: 10.1021/acs.jmedchem.1c00935. Epub ahead of print. PMID: 34553934.