JNJ-64264681 | CAS#2101524-34-7| BTK inhibitor

MedKoo Cat#: 121220 | Name: JNJ-64264681

Description:

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

JNJ-64264681 is a covalent, irreversible BTK inhibitor with potent whole blood activity and exceptional kinome selectivity. JNJ-64264681 demonstrated excellent oral efficacy in both cancer and autoimmune models with sustained in vivo target coverage amenable to once daily dosing and has advanced into human clinical studies to investigate safety and pharmacokinetics.

Chemical Structure

JNJ-64264681

CAS#2101524-34-7

Theoretical Analysis

MedKoo Cat#: 121220

Name: JNJ-64264681

CAS#: 2101524-34-7

Chemical Formula: C27H30N6O3S

Exact Mass: 518.2100

Molecular Weight: 518.64

Elemental Analysis: C, 62.53; H, 5.83; N, 16.20; O, 9.25; S, 6.18

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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Related CAS #

No Data

Synonym

JNJ-64264681; JNJ64264681; JNJ 64264681

IUPAC/Chemical Name

3-((1R,2S)-2-acrylamidocyclopentyl)-5-(6-isobutyl-4-methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide

InChi Key

OWTYPVDKNVCVNL-ZWKOTPCHSA-N

InChi Code

InChI=1S/C27H30N6O3S/c1-5-21(34)31-17-7-6-8-18(17)33-23-22-19(9-10-29-26(22)37-24(23)25(28)35)32(27(33)36)20-13-30-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H2,28,35)(H,31,34)/t17-,18+/m0/s1

SMILES Code

CC(C)CC1=CC(C)=C(N2C(N(C3=C(C(N)=O)SC4=NC=CC2=C34)[C@H]5[C@@H](NC(C=C)=O)CCC5)=O)C=N1

Appearance

To be determined

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 518.64 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

Tichenor MS, Wiener JJM, Rao NL, Bacani GM, Wei J, Pooley Deckhut C, Barbay JK, Kreutter KD, Chang L, Clancy KW, Murrey HE, Wang W, Ahn K, Huber M, Rex E, Coe KJ, Wu J, Rui H, Sepassi K, Gaudiano M, Bekkers M, Cornelissen I, Packman K, Seierstad M, Xiouras C, Bembenek SD, Alexander R, Milligan C, Balasubramanian S, Lebsack AD, Venable JD, Philippar U, Edwards JP, Hirst G. Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2022 Nov 10;65(21):14326-14336. doi: 10.1021/acs.jmedchem.2c01026. Epub 2022 Oct 31. PMID: 36314537.