NSC13316 , 97% , 5428-80-8

CAS NO.：5428-80-8

Empirical Formula: C21H21ClN2O

Molecular Weight: 352.86

MDL number: MFCD29918839

PRODUCT Properties

• Melting point: 198-199.5 °C
• Boiling point: 551.4±50.0 °C(Predicted)
• Density: 1.244±0.06 g/cm3(Predicted)
• storage temp.: Store at -20°C
• solubility: DMF: 10 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 1 mg/ml; Ethanol: 0.25 mg/ml
• form: A crystalline solid
• pka: 13.22±0.20(Predicted)
• color: white to beige
• InChI: 1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2
• InChIKey: VKLJPGAHSLIQKH-UHFFFAOYSA-N
• SMILES: Clc1ccc(cc1)c2nc3c(c(c2)C(O)C4NCCCC4)cccc3

Description and Uses

Vacquinols are a new class of quinine-derivatives that stimulate death in glioblastoma cells by massive macropinocytotic vacuolization, ATP depletion, and cytoplasmic membrane rupture. A key effector of vacquinols is MAPK kinase 4 (MKK4). Vacquinol-1 is an activator of MKK4-dependent macropinocytotic cell death in glioblastoma cells. It induces ATP depletion in glioblastoma cells (IC₅₀ = 3.14 μM at 1 day) without affecting fibroblasts, embryonic stem cells, or osteosarcoma cells. Vacquinol-1 is orally bioavailable with good brain penetrance and excellent pharmacokinetics. Oral administration of vacquinol-1 (20 mg/kg once daily for five days) substantially impairs the growth of engrafted glioblastoma cell tumors in mice and prolongs survival.

Vacquinol-1 is in the vacquinol class of quinine derivatives that stimulate death in glioblastoma cells through massive macropinocytotic vacuolization, ATP depletion and eventual cytoplasmic membrane rupture.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H317-H319
• Precautionary statements: P280-P305+P351+P338
• WGK Germany: WGK 3
• HS Code: 2933499090
• Storage Class: 11 - Combustible Solids