GB1107 | CAS#1978336-61-6 | galectin-3 inhibitor

GB1107
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 207088

CAS#: 1978336-61-6

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.

Chemical Structure

GB1107

CAS# 1978336-61-6

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 207088
Name: GB1107
CAS#: 1978336-61-6
Chemical Formula: C20H16Cl2F3N3O4S
Exact Mass: 521.02
Molecular Weight: 522.320
Elemental Analysis: C, 45.99; H, 3.09; Cl, 13.57; F, 10.91; N, 8.05; O, 12.25; S, 6.14

Price and Availability

Size	Price	Availability
5mg	USD 325
10mg	USD 550
50mg	USD 1650	2 Weeks
100mg	USD 2550
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: GB1107; GB-1107; GB 1107;

IUPAC/Chemical Name: 3,4-dichlorophenyl 3-deoxy-3-[4(3,4,5-trifluorophenyl)-1H-1,2,3- triazol-1-yl]-1-thio-α-D-galactopyranoside

InChi Key: CSGJIUAIYDKFPC-DABHTEOTSA-N

InChi Code: 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

SMILES Code: O[C@H]([C@@H](N1N=NC(C2=CC(F)=C(F)C(F)=C2)=C1)[C@H]([C@@H](CO)O3)O)[C@H]3SC4=CC=C(Cl)C(Cl)=C4

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot#A20O04B20

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:	GB1107 is a potent, selective, orally active inhibitor of Galectin-3 (Gal-3) with a Kd of 37 nM for human Galectin-3.
In vitro activity:	Additionally, the exposure of LNCaP cells to 2-PMPA showed a dose-dependent effect with ~52% cell death at 200 nM (p < 0.001) and no quantifiable cell death in LNCaP-KD and PC-3 cells (Figure 4B). However, GB1107 by itself showed dose-dependent cytotoxic effect on all cell lines with ~60% cell death at 10 μM, the highest dose (Figure 4C). Reference: Cancers (Basel). 2022 May 30;14(11):2704. https://pubmed.ncbi.nlm.nih.gov/35681683/
In vivo activity:	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. Reference: Cancer Res. 2019 Apr 1;79(7):1480-1492. https://pubmed.ncbi.nlm.nih.gov/30674531/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	50.0	95.73

Preparing Stock Solutions

The following data is based on the product molecular weight 522.32 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Sharma S, Cwiklinski K, Sykes DE, Mahajan SD, Chevli K, Schwartz SA, Aalinkeel R. Use of Glycoproteins-Prostate-Specific Membrane Antigen and Galectin-3 as Primary Tumor Markers and Therapeutic Targets in the Management of Metastatic Prostate Cancer. Cancers (Basel). 2022 May 30;14(11):2704. doi: 10.3390/cancers14112704. PMID: 35681683; PMCID: PMC9179331. 2. Vuong L, Kouverianou E, Rooney CM, McHugh BJ, Howie SEM, Gregory CD, Forbes SJ, Henderson NC, Zetterberg FR, Nilsson UJ, Leffler H, Ford P, Pedersen A, Gravelle L, Tantawi S, Schambye H, Sethi T, MacKinnon AC. An Orally Active Galectin-3 Antagonist Inhibits Lung Adenocarcinoma Growth and Augments Response to PD-L1 Blockade. Cancer Res. 2019 Apr 1;79(7):1480-1492. doi: 10.1158/0008-5472.CAN-18-2244. Epub 2019 Jan 23. PMID: 30674531.
In vitro protocol:	1. Sharma S, Cwiklinski K, Sykes DE, Mahajan SD, Chevli K, Schwartz SA, Aalinkeel R. Use of Glycoproteins-Prostate-Specific Membrane Antigen and Galectin-3 as Primary Tumor Markers and Therapeutic Targets in the Management of Metastatic Prostate Cancer. Cancers (Basel). 2022 May 30;14(11):2704. doi: 10.3390/cancers14112704. PMID: 35681683; PMCID: PMC9179331.
In vivo protocol:	1. Vuong L, Kouverianou E, Rooney CM, McHugh BJ, Howie SEM, Gregory CD, Forbes SJ, Henderson NC, Zetterberg FR, Nilsson UJ, Leffler H, Ford P, Pedersen A, Gravelle L, Tantawi S, Schambye H, Sethi T, MacKinnon AC. An Orally Active Galectin-3 Antagonist Inhibits Lung Adenocarcinoma Growth and Augments Response to PD-L1 Blockade. Cancer Res. 2019 Apr 1;79(7):1480-1492. doi: 10.1158/0008-5472.CAN-18-2244. Epub 2019 Jan 23. PMID: 30674531.

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1: Vuong L, Kouverianou E, Rooney CM, McHugh BJ, Howie SEM, Gregory CD, Forbes
SJ, Henderson NC, Zetterberg FR, Nilsson UJ, Leffler H, Ford P, Pedersen A,
Gravelle L, Tantawi S, Schambye H, Sethi T, MacKinnon AC. An Orally Active
Galectin-3 Antagonist Inhibits Lung Adenocarcinoma Growth and Augments Response
to PD-L1 Blockade. Cancer Res. 2019 Apr 1;79(7):1480-1492. doi:
10.1158/0008-5472.CAN-18-2244. Epub 2019 Jan 23. PubMed PMID: 30674531.

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