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Ipragliflozin L-Proline

CAT: 0957-S0994-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S0994-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ipragliflozin L-Proline is an orally active and selective inhibitor of SGLT2 with IC50 of 7.38 nM, 6.73 nM and 5.64 nM for human SGLT2, rat SGLT2 and mouse SGLT2, respectively.
CAS Number
951382-34-6
Target
SGLT
Activity
GPCR & G Protein
Molecular Formula
C26H30FNO7S
Storage Conditions
3 years -20°C powder

Chemical Information

Ipragliflozin L-Proline
CAS Number951382-34-6
PubChem CID57339444
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-pyrrolidine-2-carboxylic acid
Molecular FormulaC26H30FNO7S
Molecular Weight519.6
Topological Polar Surface Area168
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity628
SMILES
C1C[C@H](NC1)C(=O)O.C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)F
InChI
InChI=1S/C21H21FO5S.C5H9NO2/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14;7-5(8)4-2-1-3-6-4/h1-8,16,18-21,23-26H,9-10H2;4,6H,1-3H2,(H,7,8)/t16-,18-,19+,20-,21+;4-/m10/s1
InChIKey
TUVGWWULBZIUBS-FVYIYGEMSA-N
Chemical Structure
2D Structure
2D structure of Ipragliflozin L-Proline
CAS: 951382-34-6
CID: 57339444
Formula: C26H30FNO7S
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass519.17270163
Monoisotopic Mass519.17270163
Topological Polar Surface Area168 Ų
Heavy Atom Count36
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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