ChemicalBook--->CAS DataBase List--->1978336-61-6

1978336-61-6

1978336-61-6 Structure

1978336-61-6 Structure
IdentificationBack Directory
[Name]

GB 1107)
[CAS]

1978336-61-6
[Synonyms]

GB 1107)
GB1107 (GB-1107
(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 Formula]

C20H16Cl2F3N3O4S
[MDL Number]

MFCD31813764
[MOL File]

1978336-61-6.mol
[Molecular Weight]

522.32
Chemical PropertiesBack Directory
[Boiling point ]

740.1±70.0 °C(Predicted)
[density ]

1.73±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C,protect from light
[solubility ]

DMSO:50.0(Max Conc. mg/mL);95.73(Max Conc. mM)
[form ]

Solid
[pka]

12.48±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

CSGJIUAIYDKFPC-XOZWYLPJNA-N
[SMILES]

O[C@H]1[C@H](O[C@H](CO)[C@H](O)[C@@H]1N1N=NC(C2C=C(F)C(F)=C(F)C=2)=C1)SC1C=CC(Cl)=C(Cl)C=1 |&1:1,2,4,7,9,r|
Hazard InformationBack Directory
[Description]

GB1107 is a potent, selective, orally active galectin-3 inhibitor with Kd of 37 nM. GB1107 Inhibits Lung Adenocarcinoma Growth and Augments Response to PD-L1 Blockade.
[Uses]

GB1107 is a potent, selective, orally active inhibitor of Galectin-3 (Gal-3) with a Kd of 37 nM for human Galectin-3. GB1107 reduces human and mouse lung adenocarcinoma growth and blocks metastasis in the syngeneic model[1].
[in vivo]

Oral administration of a novel small molecule galectin-3 inhibitor GB1107 reduced human and mouse lung adenocarcinoma growth and blocked metastasis in the syngeneic model. Treatment with GB1107 increased tumor M1 macrophage polarization and CD8+ T-cell infiltration. Moreover, GB1107 potentiated the effects of a PD-L1 immune checkpoint inhibitor to increase expression of cytotoxic (IFNγ, granzyme B, perforin-1, Fas ligand) and apoptotic (cleaved caspase-3) effector molecules._x000D_ _x000D_ Reference: Cancer Res. 2019 Apr 1;79(7):1480-1492. https://pubmed.ncbi.nlm.nih.gov/30674531/
[target]

GB1107 is a potent, selective, orally active inhibitor of Galectin-3 (Gal-3) with a Kd of 37 nM for human Galectin-3.
[IC 50]

Galectin-3
[storage]

Store at -20°C,protect from light
[References]

[1] Vuong L, et al. An orally active galectin-3 antagonist inhibits lung adenocarcinoma growth and augments response to PD-L1 blockade. Cancer Res. 2019 Jan 23. pii: canres.2244.2018. DOI:10.1158/0008-5472.CAN-18-2244
Spectrum DetailBack Directory
[Spectrum Detail]

GB 1107)(1978336-61-6)1HNMR
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