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SGLT inhibitor-1

CAT: 0804-HY-112807Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-112807Size:1 Each
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Description
SGLT inhibitor-1 is a potent dual inhibitor of sodium glucose co-transporter proteins (SGLTs), inhibits hSGLT1 and hSGLT2 with IC50s of 43 nM and 9 nM, respectively[1].
CAS Number
2247314-23-2
UNSPSC
12352005
Target
SGLT
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/sglt-inhibitor-1.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@H](F)[C@H](O)[C@@H](O)[C@H](C2=CC(CC3=CC(OCCO4)=C4C=C3)=C(OCC5)C5=C2OC)O1
Molecular Formula
C24H27FO8
Molecular Weight
462.46
References & Citations
[1]Xu G, et al. Design, synthesis and biological evaluation of (2S,3R,4R,5S,6R) -5-fluoro-6- (hydroxymethyl) -2-aryltetrahydro-2H-pyran-3,4-diols as potent and orally active SGLT dual inhibitors. Bioorg Med Chem Lett. 2018 Nov 15;28 (21) :3446-3453.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SGLT1; SGLT2

Chemical Information

SGLT inhibitor-1
CAS Number2247314-23-2
PubChem CID137498470
IUPAC Name(2S,3R,4R,5S,6R)-2-[7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
Molecular FormulaC24H27FO8
Molecular Weight462.5
XLogP1.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity654
SMILES
COC1=C(C=C(C2=C1CCO2)CC3=CC4=C(C=C3)OCCO4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)F)O)O
InChI
InChI=1S/C24H27FO8/c1-29-23-14-4-5-32-22(14)13(8-12-2-3-16-17(9-12)31-7-6-30-16)10-15(23)24-21(28)20(27)19(25)18(11-26)33-24/h2-3,9-10,18-21,24,26-28H,4-8,11H2,1H3/t18-,19-,20+,21-,24+/m1/s1
InChIKey
QUHJWCHBJBZVQP-IDYLKPADSA-N
Chemical Structure
2D Structure
2D structure of SGLT inhibitor-1
CAS: 2247314-23-2
CID: 137498470
Formula: C24H27FO8
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass462.16899598
Monoisotopic Mass462.16899598
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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