Ibiglustat
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MedKoo CAT#: 319547

CAS#: 1401090-53-6 (free base)

Description: Venglustat, also known as Ibiglustat, GZ402671, GZ-452; Genz-682452 and SAR402671, is a potent and selective Glucosylceramide synthase inhibitor and ceramide glucosyltransferase inhibitor. Ibiglustat blocks the formation of glucosylceramide (GL-1), a key intermediate in the synthesis of GL-3. Ibiglustat is potentially useful for treating Fabry disease. Fabry disease is a rare lysosomal storage disorder, which results in abnormal tissue deposits of a particular fatty substance called globotriaosylceramide (GL-3 or Gb3) throughout the body.


Chemical Structure

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Ibiglustat
CAS# 1401090-53-6 (free base)

Theoretical Analysis

MedKoo Cat#: 319547
Name: Ibiglustat
CAS#: 1401090-53-6 (free base)
Chemical Formula: C20H24FN3O2S
Exact Mass: 389.1573
Molecular Weight: 389.49
Elemental Analysis: C, 61.68; H, 6.21; F, 4.88; N, 10.79; O, 8.22; S, 8.23

Price and Availability

Size Price Availability Quantity
10.0mg USD 90.0 Ready to ship
25.0mg USD 190.0 Ready to ship
50.0mg USD 350.0 Ready to ship
100.0mg USD 550.0 Ready to ship
200.0mg USD 950.0 Ready to ship
500.0mg USD 2050.0 Ready to ship
1.0g USD 3450.0 Ready to ship
2.0g USD 5450.0 Ready to ship
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Related CAS #: 1401090-53-6 (free base)   1629063-79-1 (HCl)   1629063-80-4 (succinic acid)   1629063-78-0 (malate)  

Synonym: GZ-402671; GZ402671; GZ 402671; SAR402671; SAR-402671; SAR 402671; Genz-682452-AA; Ibiglustat; GZ-452; Genz-682452; Venglustat;

IUPAC/Chemical Name: (3S)-1-azabicyclo[2.2.2]octan-3-yl N-{2-[2-(4-fluorophenyl)- 1,3-thiazol-4-yl]propan-2-yl}carbamate

InChi Key: YFHRCLAKZBDRHN-MRXNPFEDSA-N

InChi Code: 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

SMILES Code: O=C(O[C@@H]1CN2CCC1CC2)NC(C)(C3=CSC(C4=CC=C(F)C=C4)=N3)C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: 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.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: Ibiglustat is a selective, allosteric inhibitor of glucosylceramide synthase (GCS) with ability to cross the blood-brain barrier.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 37.5 96.28

Preparing Stock Solutions

The following data is based on the product molecular weight 389.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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Additional Information

Related CAS#
1401090-53-6
1629063-78-0 (