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PF9238

CAT: 0013-GTR19196740-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196740-01Size:50 mg
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Description
PF9238 is a small molecule inhibitor targeting beta-secretase 1 (BACE1), exhibiting an in vivo CatD inhibitory potency of 12 μM. This compound is a valuable research tool for investigating BACE1 function in Alzheimer's disease pathology through both cellular and animal model studies.
CAS Number
1621585-17-8
Smiles
C[C@@H]1[C@]2 ([C@] (CO[C@H] (C2) C3=CC (C) =NO3) (N=C (N) S1) C4=C (F) C=C (F) C=C4) [H]
Molecular Formula
C18H19F2N3O2S
Molecular Weight
379.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-06649283
CAS Number1621585-17-8
PubChem CID86343364
IUPAC Name(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(3-methyl-1,2-oxazol-5-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.4
XLogP2.6
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity569
SMILES
C[C@@H]1[C@@H]2C[C@@H](OC[C@@]2(N=C(S1)N)C3=C(C=C(C=C3)F)F)C4=CC(=NO4)C
InChI
InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1
InChIKey
HVEVDFRWOQHAPJ-CKMNQQOVSA-N
Chemical Structure
2D Structure
2D structure of PF-06649283
CAS: 1621585-17-8
CID: 86343364
Formula: C18H19F2N3O2S
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass379.11660436
Monoisotopic Mass379.11660436
Topological Polar Surface Area98.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
571262PF9238

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