WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H121220
CAS#: 2101524-34-7
Description: 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.
Hodoodo Cat#: H121220
Name: JNJ-64264681
CAS#: 2101524-34-7
Chemical Formula: C27H30N6O3S
Exact Mass: 518.21
Molecular Weight: 518.640
Elemental Analysis: C, 62.53; H, 5.83; N, 16.20; O, 9.25; S, 6.18
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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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
