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GB1107

CAT: 1410-M13093-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M13093-02Size: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
GB1107 (GB-1107, GB 1107) is a potent, selective, orally active inhibitor of Galectin-3 (Gal-3) with Kd of 37 nM (human Galectin-3) .
CAS Number
1978336-61-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
522.32
Molecular Formula
C20H16Cl2F3N3O4S
Notes
Research use only, not for human use.
Receptor
Galectin

Chemical Information

(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
CAS Number1978336-61-6
PubChem CID122443390
IUPAC Name(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
Molecular FormulaC20H16Cl2F3N3O4S
Molecular Weight522.3
XLogP3.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity656
SMILES
C1=CC(=C(C=C1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)N3C=C(N=N3)C4=CC(=C(C(=C4)F)F)F)O)Cl)Cl
InChI
InChI=1S/C20H16Cl2F3N3O4S/c21-10-2-1-9(5-11(10)22)33-20-19(31)17(18(30)15(7-29)32-20)28-6-14(26-27-28)8-3-12(23)16(25)13(24)4-8/h1-6,15,17-20,29-31H,7H2/t15-,17+,18+,19-,20-/m1/s1
InChIKey
CSGJIUAIYDKFPC-DABHTEOTSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol
CAS: 1978336-61-6
CID: 122443390
Formula: C20H16Cl2F3N3O4S
MW: 522.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.3
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass521.0190670
Monoisotopic Mass521.0190670
Topological Polar Surface Area126 Ų
Heavy Atom Count33
Formal Charge0
Complexity656
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

Alternative Products

CatalogName
BA5976-1GB1107
A18591-5GB1107 5mg
A18591-100GB1107 100mg
A18591-50GB1107 50mg
A18591-25GB1107 25mg
A18591-1GB1107 1mg
A18591-10GB1107 10mg
A18591-10mM-DGB1107 10mM * 1mL in DMSO

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