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PF-739

CAT: 1410-M12861-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12861-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel potent, pan-AMPK activator with similar potency for all AMPK heterotrimers.
CAS Number
1852452-14-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
442.896
Molecular Formula
C23H23ClN2O5
Notes
Research use only, not for human use.
Receptor
AMPK

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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