2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)-

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2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)- Basic information
Product Name:2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)-
Synonyms:2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)-
CAS:3031483-60-7
MF:C27H30BrNO4S
MW:544.5
EINECS:
Product Categories:
Mol File:3031483-60-7.mol
2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)- Structure
2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)- Chemical Properties
Boiling point 699.7±55.0 °C(predicted)
density 1.373±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
pka14.77±0.10(predicted)
Safety Information
MSDS Information
2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)- Usage And Synthesis
UsesSphK1-IN-2 is a potent, selective SphK1 inhibitor with IC50 values of 19.81 nM and ＞10 μM for SphK1 and SphK2, respectively. SphK1-IN-2 exhibits anti-proliferative activities and induces cell cycle arrest and apoptosis. SphK1-IN-2 can be used for cancer research[1].
in vivo

SphK1-IN-2 (50-100 mg/kg; i.p.; daily; for 14 days; female BALB/c nude mice) inhibits the growth of colon tumors and breast tumors in vivo[1].
SphK1-IN-2 (2-50 mg/kg; p.o., i.p. and i.v.; female BALB/c nude mice) exhibits a long half-life (T1/2=8.13 h) and high plasma exposure (AUClast = 8061 h*ng/mL)[1].

Animal Model:Female BALB/c nude mice[1]
Dosage:2, 20 and 50 mg/kg(Pharmacokinetic Analysis)
Administration:Oral administration, intraperitoneal injection and intravenous injection
Result:1.19
admin.p.o.i.p.i.v.
Tmax (min)0.830.18
Cmax (ng/mL)17178582
AUClast (h*ng/mL)2428061408
T1/2 (h)8.134.202.23
CL_obs (mL/min/kg)81.10
F (%)2.3879.00
Animal Model:Female BALB/c nude mice[1]
Dosage:50 and 100 mg/kg
Administration:Intraperitoneal injection; daily; for 14 days
Result:Inhibited the growth of HT29 tumors at a dose of 50 mg/kg and inhibited the growth of MDA-MB-231 breast tumors in a dose-dependent manner.
IC 50SphK1: 19.81 nM (IC50); SphK2: ＞10 μM (IC50)
References[1] Zhang S, et, al. Novel Sphingosine Kinase 1 Inhibitor Suppresses Growth of Solid Tumor and Inhibits the Lung Metastasis of Triple-Negative Breast Cancer. J Med Chem. 2022 Jun 9;65(11):7697-7716. DOI:10.1021/acs.jmedchem.2c00040
2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)- Preparation Products And Raw materials
Tag:2-Pyrrolidinemethanol, 1-[[4-[[4-bromo-3-methyl-5-[(phenylsulfonyl)methyl]phenoxy]methyl]phenyl]methyl]-, (2R)-(3031483-60-7) Related Product Information
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