ChemicalBook--->CAS DataBase List--->5428-80-8

5428-80-8

5428-80-8 Structure

5428-80-8 Structure
IdentificationBack Directory
[Name]

[2-(4-chlorophenyl)quinolin-4-yl]-(2-piperidyl)methanol
[CAS]

5428-80-8
[Synonyms]

CS-2185
NSC13316
NSC-13316
NSC 13316
Vacquinol-1
Vacquinol-1(NSC13316)
NSC 13316;NSC13316;NSC-13316;VACQUINOL 1;VACQUINOL1
[2-(4-chlorophenyl)quinolin-4-yl]-(2-piperidyl)methanol
4-Quinolinemethanol,2-(4-chlorophenyl)-a-2-piperidinyl-
4-Quinolinemethanol, 2-(4-chlorophenyl)-α-2-piperidinyl-
[Molecular Formula]

C21H21ClN2O
[MDL Number]

MFCD29918839
[MOL File]

5428-80-8.mol
[Molecular Weight]

352.86
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2933499090
Hazard InformationBack Directory
[Description]

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.
[Uses]

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.
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