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PF-06795071

CAT: 0931-T16496-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16496-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2075629-81-9
Target
Lipase, MAGL
Related Pathways
Metabolism
Bioactivity
PF-06795071 is an effective and selective covalent inhibitor of MAGL (IC50: 3 nM) .
Smiles
C(O[C@@H](C(F)(F)F)CO)(=O)N1C[C@@]2([C@H]([C@@]2(C1)[H])C3=NN(C=C3)C4=CC=C(F)C=C4)[H]
Molecular Formula
C18H17F4N3O3
Molecular Weight
399.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (1S,5R)-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CAS Number2075629-81-9
PubChem CID126502731
IUPAC Name[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (1S,5R)-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
Molecular FormulaC18H17F4N3O3
Molecular Weight399.3
XLogP2.5
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity573
SMILES
C1[C@@H]2[C@@H](C2C3=NN(C=C3)C4=CC=C(C=C4)F)CN1C(=O)O[C@H](CO)C(F)(F)F
InChI
InChI=1S/C18H17F4N3O3/c19-10-1-3-11(4-2-10)25-6-5-14(23-25)16-12-7-24(8-13(12)16)17(27)28-15(9-26)18(20,21)22/h1-6,12-13,15-16,26H,7-9H2/t12-,13+,15-,16?/m1/s1
InChIKey
MEDCQBUTCWNKGW-XFDYKOMQSA-N
Chemical Structure
2D Structure
2D structure of [(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (1S,5R)-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CAS: 2075629-81-9
CID: 126502731
Formula: C18H17F4N3O3
MW: 399.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass399.12060406
Monoisotopic Mass399.12060406
Topological Polar Surface Area67.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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