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Product details

名称

GB1107

英文名称

GB1107

货号

G650676-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存,充氩

运输条件

超低温冰袋运输

产品介绍

GB1107 is a potent, selective, orally active inhibitor of Galectin-3 (Gal-3) with a K d of 37 nM for human Galectin-3. GB1107 reduces human and mouse lung adenocarcinoma growth and blocks metastasis in the syngeneic model In Vitro Treatment with GB1107 (0-1 μM) increases tumor M1 macrophage polarization and CD8+ T cell infiltration in LLC cells by flow cytometric analysis. GB1107 potentiates the effects of a PD-L1 immune checkpoint inhibitor to increase expression of cytotoxic (IFN-γ, granzyme B, perforin-1, Fas ligand) and apoptotic (cleaved caspase-3) effector molecules. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo GB1107 (10 mg/kg, p.o., once daily from day 18-30 post implantation) treatment results in significantly reduced tumor growth and final tumor weights . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CD-1 nude female mice received 3x10 6 human lung adenocarcinoma cells (A549) . Dosage: 10 mg/kg Administration: Oral once daily from day 18-30 post implantation. Result: Resulted in significantly reduced tumor growth and final tumor weights. Form:Solid IC50& Target:Kd: 37 nM (human Gal-3)

生化机理

GB1107 是一种强效、选择性、口服活性的 Galectin-3 (Gal-3) 抑制剂，对人类 Galectin-3 的 K d 值为 37 nM。GB1107 能降低人和小鼠肺腺癌的生长，并能阻断合成模型中的转移。

CAS号

1978336-61-6

分子式

C20H16Cl2F3N3O4S

分子量

522.32 g/mol

PubChem编号

122443390

Isomeric 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

IIUPAC 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

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

InChi Key

CSGJIUAIYDKFPC-DABHTEOTSA-N

Smiles

C1=CC(=C(C=C1SC2C(C(C(C(O2)CO)O)N3C=C(N=N3)C4=CC(=C(C(=C4)F)F)F)O)Cl)Cl

PubChem CID

122443390

溶解性

DMSO : 50 mg/mL (95.73 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

521.019 Da

单同位素质量Monoisotopic Mass

521.019 Da

拓扑极表面积Topological Polar Surface Area

126.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

656

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.6

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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Consultation

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