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SGL5213

CAT: 0931-T12892-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T12892-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1240305-17-2
Target
SGLT
Related Pathways
GPCR/G Protein
Bioactivity
SGL5213 is an oral active and low-absorbable inhibitor of sodium-dependent glucose cotransporter 1 (SGLT1) (hSGLT1 and hSGLT2 with IC50 values of 29 nM and 20 nM , respectively), and has potential to treat type 2 diabetes.
Smiles
O(C)C1=C(C=C(CC2=CC=C(/C=C/C(C(NC(C(NCCN(C)C)=O)(C)C)=O)(C)C)C=C2)C(C(C)C)=C1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Molecular Formula
C37H55N3O8
Molecular Weight
669.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 46897566
CAS Number1240305-17-2
PubChem CID46897566
IUPAC Name(E)-N-[1-[2-(dimethylamino)ethylamino]-2-methyl-1-oxopropan-2-yl]-4-[4-[[4-methoxy-2-propan-2-yl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-2,2-dimethylbut-3-enamide
Molecular FormulaC37H55N3O8
Molecular Weight669.8
XLogP3.2
Topological Polar Surface Area161
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1060
SMILES
CC(C)C1=CC(=C(C=C1CC2=CC=C(C=C2)/C=C/C(C)(C)C(=O)NC(C)(C)C(=O)NCCN(C)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC
InChI
InChI=1S/C37H55N3O8/c1-22(2)26-20-28(47-9)27(33-32(44)31(43)30(42)29(21-41)48-33)19-25(26)18-24-12-10-23(11-13-24)14-15-36(3,4)34(45)39-37(5,6)35(46)38-16-17-40(7)8/h10-15,19-20,22,29-33,41-44H,16-18,21H2,1-9H3,(H,38,46)(H,39,45)/b15-14+/t29-,30-,31+,32-,33+/m1/s1
InChIKey
MUBBPBZRFJGZEU-XSPPBVGUSA-N
Chemical Structure
2D Structure
2D structure of CID 46897566
CAS: 1240305-17-2
CID: 46897566
Formula: C37H55N3O8
MW: 669.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.8
XLogP33.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass669.39891572
Monoisotopic Mass669.39891572
Topological Polar Surface Area161 Ų
Heavy Atom Count48
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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