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Thiodigalactoside

CAT: 0013-GTR19190209-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190209-01Size:50 mg
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Description
Thiodigalactoside (TDG) is a potent, orally bioavailable galectin-1 and galectin-3 inhibitor with Kd values of 24 μM and 49 μM, respectively. It exhibits anti-inflammatory and anti-cancer properties in vitro and has been shown to reduce body weight gain in diet-induced obese rat models in vivo.
CAS Number
51555-87-4
Product Name Alternative
Thiodigalactoside, Galectin
Field of Research
Immunology & Inflammation
Purity
99.74% (May vary between batches)
Solubility
H2O:90 mg/mL (251.14 mM) ; DMF:1 mg/mL (2.79 mM) ; DMSO:50 mg/mL (139.52 mM) ; PBS (pH 7.2) :10 mg/mL (27.9 mM)
Smiles
OC[C@H]1O[C@@H] (S[C@@H]2O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]2O) [C@H] (O) [C@@H] (O) [C@H]1O
Molecular Formula
C12H22O10S
Molecular Weight
358.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiodigalactoside

Thiodigalactoside is a solid. This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates. This medication is known to target galectin-1, heat-labile enterotoxin b chain, neurocan core protein, and lactose permease.

CAS Number51555-87-4
PubChem CID119138
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-3,4,5-triol
Molecular FormulaC12H22O10S
Molecular Weight358.36
XLogP-3.4
Topological Polar Surface Area206
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity353
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
InChIKey
SYKYBMOFPMXDRQ-ZFDCCPEWSA-N
Chemical Structure
2D Structure
2D structure of Thiodigalactoside
CAS: 51555-87-4
CID: 119138
Formula: C12H22O10S
MW: 358.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.36
XLogP3-3.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass358.09336807
Monoisotopic Mass358.09336807
Topological Polar Surface Area206 Ų
Heavy Atom Count23
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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