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Canagliflozin hemihydrate

CAT: 0013-GTR19202869-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19202869-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Canagliflozin hemihydrate (TA-7284) is a selective SGLT2 inhibitor used in type 2 diabetes research. By blocking renal glucose reabsorption, it promotes significant urinary glucose excretion. This compound is widely applied in both in vitro binding assays and in vivo metabolic disease models to study glucose homeostasis and related pathways.
CAS Number
928672-86-0
Product Name Alternative
Canagliflozin Hemihydrate, Canagliflozin, JNJ 28431754, JNJ-28431754, JNJ28431754, TA 7284, TA-7284, TA7284, SGLT2
Field of Research
Pharmacology & Drug Discovery
Purity
99.42% (May vary between batches)
Solubility
DMSO:255 mg/mL (281.13 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (3.64 mM)
Smiles
O[C@H]1[C@H] (C2=CC (CC3=CC=C (C4=CC=C (C=C4) F) S3) =C (C=C2) C) O[C@@H] ([C@H] ([C@@H]1O) O) CO.O[C@H]5[C@H] (C6=CC (CC7=CC=C (C8=CC=C (C=C8) F) S7) =C (C=C6) C) O[C@@H] ([C@H] ([C@@H]5O) O) CO.O
Molecular Formula
C48H52F2O11S2
Molecular Weight
907.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Canagliflozin

Canagliflozin is a C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor. It is a C-glycosyl compound, a member of thiophenes and an organofluorine compound.

CAS Number928672-86-0
PubChem CID24812758
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC24H25FO5S
Molecular Weight444.5
XLogP3.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity574
SMILES
CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
InChIKey
XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
Chemical Structure
2D Structure
2D structure of Canagliflozin
CAS: 928672-86-0
CID: 24812758
Formula: C24H25FO5S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass444.14067323
Monoisotopic Mass444.14067323
Topological Polar Surface Area118 Ų
Heavy Atom Count31
Formal Charge0
Complexity574
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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