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Ipragliflozin (ASP1941)

CAT: 0957-S8637-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S8637-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
761423-87-4
Target
SGLT
Applications
GPCR & G Protein
Smiles
C1=CC=C2C (=C1) C=C (S2) CC3=C (C=CC (=C3) C4C (C (C (C (O4) CO) O) O) O) F
Molecular Formula
C21H21FOS
Additionnal Information
Ipragliflozin (ASP1941) is a highly selective sodium-glucose cotransporter 2 (SGLT2) inhibitor with an IC50 value of 7.4 nM for hSGLT2 and a 254-fold selectivity versus SGLT1.
Storage Conditions
2 years -80 in solvent

Chemical Information

Ipragliflozin

Ipragliflozin is a glycoside.

CAS Number761423-87-4
PubChem CID10453870
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC21H21FO5S
Molecular Weight404.5
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity525
SMILES
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/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/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
InChIKey
AHFWIQIYAXSLBA-RQXATKFSSA-N
Chemical Structure
2D Structure
2D structure of Ipragliflozin
CAS: 761423-87-4
CID: 10453870
Formula: C21H21FO5S
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass404.10937310
Monoisotopic Mass404.10937310
Topological Polar Surface Area118 Ų
Heavy Atom Count28
Formal Charge0
Complexity525
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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