MedKoo Cat#: 565622 | Name: GB1107 hydrate

Description:

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

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 hydrate
GB1107 hydrate
CAS#GB1107 hydrate

Theoretical Analysis

MedKoo Cat#: 565622

Name: GB1107 hydrate

CAS#: GB1107 hydrate

Chemical Formula: C20H18Cl2F3N3O5S

Exact Mass: 521.0191

Molecular Weight: 540.34

Elemental Analysis: C, 44.46; H, 3.36; Cl, 13.12; F, 10.55; N, 7.78; O, 14.80; S, 5.93

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
GB1107 hydrate; GB 1107 hydrate; GB-1107 hydrate
IUPAC/Chemical Name
3,4-Dichlorophenyl 3-deoxy-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-a-D-galactopyranoside hydrate
InChi Key
CBSMXTYADKVPRR-UZHYMBMESA-N
InChi Code
InChI=1S/C20H16Cl2F3N3O4S.H2O/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;1H2/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.[H]O[H]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 540.34 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.

Recalculate based on batch purity %
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
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.