ChemicalBook--->CAS DataBase List--->1401090-53-6

1401090-53-6

1401090-53-6 Structure

1401090-53-6 Structure
IdentificationBack Directory
[Name]

genz-682452
[CAS]

1401090-53-6
[Synonyms]

GZ-452
CS-2780
GZ402671
GZ-402671
SAR402671
SAR-402671
SAR 402671
Ibiglustat
genz-682452
GZ/SAR402671
Genz-682452-AA
Ibiglustat(Genz-682452)
Ansofaxine Hydrochloride
IBIGLUSTAT;VENGLUSTAT;GZ/SAR402671;GZ402671;SAR402671
(S)-QUINUCLIDIN-3-YL (2-(2-(4-FLUOROPHENYL)THIAZOL-4-YL)PROPAN-2-YL)CARBAMATE
Carbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester
GZ-402671; GZ402671; GZ402671; SAR402671; SAR-402671; SAR 402671; GENZ-682452-AA; IBIGLUSTAT; GZ-452; GENZ-682452
[Molecular Formula]

C20H24FN3O2S
[MDL Number]

MFCD28502073
[MOL File]

1401090-53-6.mol
[Molecular Weight]

389.49
Chemical PropertiesBack Directory
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:37.5(Max Conc. mg/mL);96.28(Max Conc. mM)
[form ]

A crystalline solid
[pka]

10.34±0.46(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1
[InChIKey]

YFHRCLAKZBDRHN-MRXNPFEDSA-N
[SMILES]

C(O[C@H]1C2CCN(CC2)C1)(=O)NC(C1=CSC(C2=CC=C(F)C=C2)=N1)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
Hazard InformationBack Directory
[Uses]

Ibiglustat (Venglustat) is an orally active, brain-penetrant glucosylceramide synthase (GCS) inhibitor. Ibiglustat can be used for the research of Gaucher disease type 3, Parkinson's disease associated with GBA mutations, Fabry disease, GM2 gangliosidosis, and autosomal dominant polycystic kidney disease[1][2].
[storage]

Store at -20°C
[References]

[1] Viel C, et al. Preclinical pharmacology of glucosylceramide synthase inhibitor venglustat in a GBA-related synucleinopathy model. Sci Rep. 2021;11(1):20945. Published 2021 Oct 22. DOI:10.1038/s41598-021-00404-5
[2] Peterschmitt MJ, et al. Pharmacokinetics, Pharmacodynamics, Safety, and Tolerability of Oral Venglustat in Healthy Volunteers. Clin Pharmacol Drug Dev. 2021;10(1):86-98. DOI:10.1002/cpdd.865
[3] Stojkovska I, et al. Molecular mechanisms of α-synuclein and GBA1 in Parkinson's disease. Cell Tissue Res. 2018;373(1):51-60. doi:10.1007/s00441-017-2704-y DOI:10.1007/s00441-017-2704-y
[4] Itier JM, et al. Effective clearance of GL-3 in a human iPSC-derived cardiomyocyte model of Fabry disease. J Inherit Metab Dis. 2014 Nov;37(6):1013-22. DOI:10.1007/s10545-014-9724-5
Spectrum DetailBack Directory
[Spectrum Detail]

genz-682452(1401090-53-6)1HNMR
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