| Identification | Back Directory | [Name]
BIIB068 | [CAS]
1798787-27-5 | [Synonyms]
BIIB068
BIIB-068
N-[(2-methyl-4-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}phenyl)methyl]-3-(propan-2-yloxy)azetidine-1-carboxamide
1-Azetidinecarboxamide, 3-(1-methylethoxy)-N-[[2-methyl-4-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]phenyl]methyl]-
ADME,inhibit,FcγR,Autoimmune,Bruton tyrosine kinase,TNFα,BIIB 068,ROS,Inhibitor,reversible,Btk,anti-IgD,phosphorylation,BIIB068,anti-IgM,BIIB-068 | [Molecular Formula]
C23H29N7O2 | [MOL File]
1798787-27-5.mol | [Molecular Weight]
435.52 |
| Chemical Properties | Back Directory | [density ]
1.30±0.1 g/cm3(Predicted) | [solubility ]
DMSO:30.63(Max Conc. mg/mL);70.33(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.46(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);68.88(Max Conc. mM)
Ethanol:10.0(Max Conc. mg/mL);22.96(Max Conc. mM) | [form ]
A crystalline solid | [pka]
13.40±0.40(Predicted) | [color ]
Off-white to yellow |
| Hazard Information | Back Directory | [Uses]
BIIB068 is a potent, selective, reversible and orally active BTK inhibitor with an IC50 of 1 nM and a Kd of 0.3 nM. BIIB068 shows more >400-fold selective for BTK than other kinases. BIIB068 has the potential for autoimmune diseases research[1]. | [in vivo]
BIIB068 (compound 1) is stable in the plasma of mouse, rat, beagle dog, and cynomolgus monkey (>95% parent compound remaining after 6 hours of incubation)[1].
BIIB068 (compound 1) exhibits good drug-like properties (LLE = 5) which results in low in vivo clearance (CL %Qh = 6) and moderate oral bioavailability (%F = 48) when dosed in rats. BIIB068 (5 mg/kg; po) treatment shows the T1/2 of 1.2 hours, 2.1 hours and 0.9 hour for rats, dog and cynomolgus monkey, respectively. BIIB068 shows acceptable ADME (absorption, distribution, metabolism, and excretion) properties[1]. | [References]
[1] Bin Ma, Tonika Bohnert, et al. Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J Med Chem. 2020 Jul 22. DOI:10.1021/acs.jmedchem.0c00702 |
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| Company Name: |
BOC Sciences
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| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
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