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PF-739

CAT: 0931-T24628-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24628-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1852452-14-2
Target
Others, AMPK
Related Pathways
Others, PI3K/Akt/mTOR signaling, Chromatin/Epigenetic
Bioactivity
PF-739 is an AMPK agonist that has been shown to activate AMPK in hepatocytes and skeletal muscle.
Smiles
C(O)C1(CC1)C2=CC=C(C=C2)C=3C=C4C(=CC3Cl)N=C(O[C@H]5[C@@]6([C@](OC5)([C@H](O)CO6)[H])[H])N4
Molecular Formula
C23H23ClN2O5
Molecular Weight
442.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,4:3,6-Dianhydro-2-O-(6-Chloro-5-{4-[1-(Hydroxymethyl)cyclopropyl]phenyl}-1h-Benzimidazol-2-Yl)-D-Mannitol
CAS Number1852452-14-2
PubChem CID118640073
IUPAC Name(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
Molecular FormulaC23H23ClN2O5
Molecular Weight442.9
XLogP2.7
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity658
SMILES
C1CC1(CO)C2=CC=C(C=C2)C3=CC4=C(C=C3Cl)NC(=N4)O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O
InChI
InChI=1S/C23H23ClN2O5/c24-15-8-17-16(7-14(15)12-1-3-13(4-2-12)23(11-27)5-6-23)25-22(26-17)31-19-10-30-20-18(28)9-29-21(19)20/h1-4,7-8,18-21,27-28H,5-6,9-11H2,(H,25,26)/t18-,19-,20-,21-/m1/s1
InChIKey
IMVYDTHPRTUISR-XRXFAXGQSA-N
Chemical Structure
2D Structure
2D structure of 1,4:3,6-Dianhydro-2-O-(6-Chloro-5-{4-[1-(Hydroxymethyl)cyclopropyl]phenyl}-1h-Benzimidazol-2-Yl)-D-Mannitol
CAS: 1852452-14-2
CID: 118640073
Formula: C23H23ClN2O5
MW: 442.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.9
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass442.1295495
Monoisotopic Mass442.1295495
Topological Polar Surface Area96.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity658
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

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