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1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]-

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1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- Suppliers list
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1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- Basic information
Product Name:1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]-
Synonyms:1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]-;(R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-yl)-1H-1,2,3-triazole-4-carboxamide;BIIB091
CAS:2247614-80-6
MF:C28H34N10O2
MW:542.64
EINECS:
Product Categories:
Mol File:2247614-80-6.mol
1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- Structure
1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- Chemical Properties
storage temp. Store at -20°C
form Solid
color Light yellow to yellow
Safety Information
MSDS Information
1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- Usage And Synthesis
UsesBIIB091 is a potent, selective, orally active and reversible BTK inhibitor, with an IC50 of <0.5 nM. BIIB091 binds the BTK protein to sequester TYR-551 into an inactive conformation with excellent affinity. BIIB091 can be used for the research of multiple sclerosis[1].
in vivo

BIIB091 (0.03-30 mg/kg; p.o. twice daily for 10 d) reduces the anti-NP IgM antibody titers (88%, 77%, 59%, 59%, 44%, 34%, and 22%) in the TI-2 immunization model[1].

Pharmacokinetics of BIIB091 in preclinical species[1]

speciesIV (1 mg/kg)PO (5 mg/kg) in HMPC/Tween
T1/2 (h)AUCinf (hng/mL)CL (mL/min/kg)CL %QHVdss (L/kg)Tmax (h)Cmax (ng/mL)AUCinf (hng/mL)%F
rat2.174810220.40.9693152242
cyno1.194318440.70.331104144631
dog6.0167512331.71.61440607589
Animal Model:C57BL/6 mice immunized with NP-Ficoll a thymus-independent type 2 (TI-2) antigen[1]
Dosage:0.03, 0.1, 0.3, 1, 10, 30 mg/kg in a CMC/Tween suspension formulation
Administration:P.o. twice daily for 10 days
Result:Observed a significant reduction of the anti-NP IgM antibody titers (88%, 77%, 59%, 59%, 44%, 34%, and 22%).
References[1] Hopkins BT, et al. Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J Med Chem. 2021 Nov 4. DOI:10.1021/acs.jmedchem.1c00926
1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- Preparation Products And Raw materials
Tag:1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]-(2247614-80-6) Related Product Information
NA BTK Protein, Human (Active, sf9, GST) BTK Protein, Human (Active, Biotinylated, C481S, sf9, His, Avi)