CGI1746

• CAS: 910232-84-7
• Catalog Number: ACM910232847
• Category: Inhibitors
• Molecular Weight: 579.69
• Molecular Formula: C34H37N5O4
• Description: CGI1746 is a small-molecule Btk inhibitor chemotype with a new binding mode that stabilizes an inactive nonphosphorylated enzyme conformation. CGI1746 has exquisite selectivity for Btk and inhibits both auto- and transphosphorylation steps necessary for enzyme activation.
• Synonyms: CGI1746; CGI-1746; CGI 1746
• IUPAC Name: 4-(tert-butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morpholine-4-carbonyl)phenyl)amino)-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)benzamide
• Canonical SMILES: O=C(NC1=CC=CC(C(N=C2NC3=CC=C(C(N4CCOCC4)=O)C=C3)=CN(C)C2=O)=C1C)C5=CC=C(C(C)(C)C)C=C5
• InChI: InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
• InChI Key: JIFCFQDXHMUPGP-UHFFFAOYSA-N
• Solubility: Soluble in DMSO, not in water
• Appearance: White to off-white solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Biological Target: CGI-1746 is an inhibitor of the Btk with IC50 of 1.9 nM.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 70.45; H, 6.43; N, 12.08; O, 11.04
• Exact Mass: 579.28455
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: Next, this study asked whether CGI1746 inhibits HMCLs in vitro. Treatment of ARP1 and OPM2 cells with a dose range of drug (0.2 μM to 50 μM; 48 hrs) resulted in similar levels of cytotoxicity in both cell lines (IC50 ≅ 10 μM; Figure 1B).; Reference: Cancer Res. 2015 Feb 1; 75(3): 594-604. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384656/
• In Vivo Activity: To testify CGI-1746 in vivo, this study xenografted OCI-MY5 cells subcutaneously into NSG mice respectively (n = 5), CGI-1476 treatment was start 7 days after injection. Tumor diameter was measured twice per week to evaluate the tumor growth rate. After 30 days, the tumors from control group, PBS Treatment, were visibly smaller than their counterparts (Figure 6C). The average weight of control tumors and the ratio of tumor weight to body weight were higher than the treatment tumors (Figure 6D & 6E). Time course analysis of tumor growth demonstrated that CGI-1746 outstandingly lagged the MM tumor growth in vivo (Figure 6F).; Reference: Oncotarget. 2017 Aug 22; 8(34): 56858-56867. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5593608/
• Shipping: 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.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).