| Identification | Back Directory | [Name]
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- | [CAS]
1621585-22-5 | [Synonyms]
PF-06663195
PF-06663195 >=98% (HPLC)
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- | [Molecular Formula]
C18H18F3N3O2S | [MDL Number]
MFCD28580119 | [MOL File]
1621585-22-5.mol | [Molecular Weight]
397.41 |
| Chemical Properties | Back Directory | [Boiling point ]
554.1±60.0 °C(Predicted) | [density ]
1.55±0.1 g/cm3(Predicted) | [storage temp. ]
room temp | [solubility ]
DMSO: 20mg/mL, clear | [form ]
powder | [pka]
3.59±0.70(Predicted) | [color ]
white to beige | [InChI]
1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1 | [InChIKey]
JIAYOIBUKDISBO-IYPIGGPWSA-N | [SMILES]
[H][C@@]12[C@@](CO[C@@H](C3=CC(C)=NO3)C2)(C4=CC=C(F)C=C4F)N=C(N)S[C@@H]1CF |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Description]
PF-06663195 is a potent inhibitor of β-site amyloid precursor protein (APP) Cleaving Enzyme 1 (BACE1, β-Secretase 1). | [Uses]
PF-06663195 is a β-secretase (BACE1) inhibitor, with BACE1 CFA and BACE1 WCA IC50 values of 53 and 15 nM, respectively. PF-06663195 can be used for Alzheimer's disease research[1]. | [References]
[1] Michael A Brodney, et al. Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors. J Med Chem. 2015 Apr 9;58(7):3223-52. DOI:10.1021/acs.jmedchem.5b00191 |
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| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|