| Identification | Back Directory | [Name]
5-{[(2S,5R)-2,5-dimethyl-4-(tetrahydro-2H-pyran-4-ylmethyl)piperazin-1-yl]carbonyl}-N-(5-fluoro-2-methylpyrimidin-4-yl)-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine | [CAS]
1046787-18-1 | [Synonyms]
CS-2112
PKC-IN-1
PKC,PKCIN1,PKC IN 1,Protein kinase C,inhibit,Inhibitor
5-{[(2S,5R)-2,5-dimethyl-4-(tetrahydro-2H-pyran-4-ylmethyl)piperazin-1-yl]carbonyl}-N-(5-fluoro-2-methylpyrimidin-4-yl)-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine
[(2S,5R)-2,5-Dimethyl-4-[(tetrahydro-2H-pyran-4-yl)methyl]-1-piperazinyl][3-[(5-fluoro-2-methyl-4-pyrimidinyl)amino]-4,6-dihydro-6,6-dimethylpyrrolo[3,4-c]pyrazol-5(1H)-yl]methanone
Methanone, [(2S,5R)-2,5-dimethyl-4-[(tetrahydro-2H-pyran-4-yl)methyl]-1-piperazinyl][3-[(5-fluoro-2-methyl-4-pyrimidinyl)amino]-4,6-dihydro-6,6-dimethylpyrrolo[3,4-c]pyrazol-5(1H)-yl]- | [Molecular Formula]
C25H37FN8O2 | [MDL Number]
MFCD28900747 | [MOL File]
1046787-18-1.mol | [Molecular Weight]
500.61 |
| Chemical Properties | Back Directory | [Boiling point ]
622.8±55.0 °C(Predicted) | [density ]
1.253±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : ≥ 25 mg/mL (49.94 mM) | [form ]
Solid | [pka]
14.13±0.40(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
PKC-IN-1 is a potent, ATP-competitive and reversible inhibitor of conventional PKC enzymes with Kis of 5.3 and 10.4 nM for human PKCβ and PKCα, and IC50s of 2.3, 8.1, 7.6, 25.6, 57.5, 314, 808 nM for PKCα, PKCβI, PKCβII, PKCθ, PKCγ, PKC mu and PKCε, respectively. | [in vivo]
PKC-IN-1 (Compound A; 15 and 30 mg/kg, p.o., bid (twice a day)) dose-dependently and significantly reduces maximum EAE severity and end severity in autoimmune encephalitis (EAE) model in Lewis rats[1]. | [IC 50]
Human PKCα: 2.3 nM (IC50); Human PKCβII: 7.6 nM (IC50); Human PKCβI: 8.1 nM (IC50); Human PKCθ: 25.6 nM (IC50); Human PKCγ: 57.5 nM (IC50); Human PKC mu: 314 nM (IC50); Human PKCε: 808 nM (IC50); Human PKCβ: 5.3 nM (Ki); Human PKCα: 10.4 nM (Ki) | [storage]
Store at -20°C | [References]
[1] Michael Niesman, et al. Treatment of autoimmune disease. WO2015179847A1. |
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| Company Name: |
Musechem
|
| Tel: |
+1-800-259-7612 |
| Website: |
www.musechem.com |
| Company Name: |
Cckinase, Inc.
|
| Tel: |
+1 (732)236-3202 |
| Website: |
www.cckinase.com |
|