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Remogliflozin etabonate

CAT: 0013-GTR19192934-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192934-01Size:2 mg
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Description
Remogliflozin etabonate is a prodrug metabolized to the active SGLT2 inhibitor remogliflozin. It shows high selectivity for inhibiting SGLT2 over SGLT1, as evidenced by its Ki values against human and rat isoforms. This compound is utilized in preclinical research to investigate SGLT2 function in diabetes and metabolic disease models.
CAS Number
442201-24-3
Product Name Alternative
GSK189075, GSK-189075, GSK189075A, GSK-189075A, GSK 189075, GSK 189075A, Remogliflozin etabonate, SGLT2
Field of Research
Pharmacology & Drug Discovery
Purity
98.98% (May vary between batches)
Solubility
DMSO:90 mg/mL (172.22 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.31 mM)
Smiles
CCOC (=O) OC[C@H]1O[C@@H] (Oc2nn (C (C) C) c (C) c2Cc2ccc (OC (C) C) cc2) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C26H38N2O9
Molecular Weight
522.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Remogliflozin Etabonate

Remogliflozin etabonate is a glycoside.

CAS Number442201-24-3
PubChem CID9871420
IUPAC Nameethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate
Molecular FormulaC26H38N2O9
Molecular Weight522.6
XLogP3
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity704
SMILES
CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O
InChI
InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1
InChIKey
UAOCLDQAQNNEAX-ABMICEGHSA-N
Chemical Structure
2D Structure
2D structure of Remogliflozin Etabonate
CAS: 442201-24-3
CID: 9871420
Formula: C26H38N2O9
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass522.25773079
Monoisotopic Mass522.25773079
Topological Polar Surface Area142 Ų
Heavy Atom Count37
Formal Charge0
Complexity704
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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