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SGL5213

CAT: 0013-GTR19204804-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204804-01Size:25 mg
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Description
SGL5213 is a low-absorbable, orally active dual inhibitor of human SGLT1 and SGLT2 (IC50 = 29 nM and 20 nM, respectively) . It is a research compound for studying sodium-glucose cotransporter pharmacology and has been investigated in preclinical models for type 2 diabetes management.
CAS Number
1240305-17-2
Field of Research
Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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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