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SGLT1/2-IN-8

CAT: 0931-T204130-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204130-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2206679-16-3
Target
SGLT
Related Pathways
GPCR/G Protein
Bioactivity
SGLT1/2-IN-8 (compound 8) is a potent and orally active dual inhibitor of SGLT1/2, exhibiting IC50 values of 4 nM and 1 nM, respectively. It shows antihyperglycemic properties, making it suitable for related research.
Smiles
OC=1C(=CC(CC=2C=C3C(=CC2)CC3)=C(C)C1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Molecular Formula
C22H26O6
Molecular Weight
386.438
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sglt1/2-IN-8
CAS Number2206679-16-3
PubChem CID134498389
IUPAC Name(2S,3R,4R,5S,6R)-2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-2-hydroxy-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC22H26O6
Molecular Weight386.4
XLogP0.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity529
SMILES
CC1=CC(=C(C=C1CC2=CC3=C(CC3)C=C2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H26O6/c1-11-6-17(24)16(22-21(27)20(26)19(25)18(10-23)28-22)9-15(11)8-12-2-3-13-4-5-14(13)7-12/h2-3,6-7,9,18-27H,4-5,8,10H2,1H3/t18-,19-,20+,21-,22+/m1/s1
InChIKey
VSVQPLIGJXQIFP-BDHVOXNPSA-N
Chemical Structure
2D Structure
2D structure of Sglt1/2-IN-8
CAS: 2206679-16-3
CID: 134498389
Formula: C22H26O6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass386.17293854
Monoisotopic Mass386.17293854
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity529
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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