Sotagliflozin
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol
Molecular Identity
Sotagliflozin
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol
PubChem CID: 24831714
Sotagliflozin is an S-glycosyl compound that is 1-thio-beta-L-xylopyranose in which the anomeric hydroxy group is replaced by a 4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl group and the thiol is replaced by a methylsulfanediyl group. It is an inhibitor of SGLT1 and SGLT2 that is approved to reduce the risk of cardiovascular death, hospitalization for heart failure, and urgent heart failure visit in adults with heart failure or type 2 diabetes mellitus, chronic kidney disease, and other cardiovascular risk. It has a role as a sodium-glucose transport protein subtype 1 inhibitor, a hypoglycemic agent, an antihypertensive agent, a sodium-glucose transport protein subtype 2 inhibitor and a cardioprotective agent. It is a C-glycosyl compound, a S-glycosyl compound, an aromatic ether and a member of monochlorobenzenes.
2D Structure
Properties
C21H25ClO5S
Molecular Formula
424.90
Molecular Weight
g/mol
424.1111
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
476
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sotagliflozin1018899-04-1LX-4211LX4211INPEFAsotagliflozinasotagliflozineLP-802034sotagliflozinum6B4ZBS263YSar439954Sar-439954LP 802034(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triolDTXSID20144314
Data from PubChem (NCBI)
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