Afegostat TFA

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MedKoo CAT#: 575094

CAS#: 1084896-50-3 (TFA)

Description: Afegostat, aslo known as Isofagomine, and AT2101, was an experimental drug for the treatment of certain forms of Gaucher's disease. Isofagomine (IFG) is an acid β-glucosidase (GCase) active site inhibitor that acts as a pharmacological chaperone. FG inhibits GCase with K(i) ~30 nM for wild-type and mutant enzymes (N370S and V394L). Administration of IFG (30 mg/kg/day) to the mice homozygous for GCase mutations (V394L, D409H, or D409V) led to increased GCase activity in visceral tissues and brain extracts.

Chemical Structure

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Afegostat TFA
CAS# 1084896-50-3 (TFA)
Instruction

Theoretical Analysis

MedKoo Cat#: 575094
Name: Afegostat TFA
CAS#: 1084896-50-3 (TFA)
Chemical Formula: C8H14F3NO5
Exact Mass: 0.00
Molecular Weight: 261.197
Elemental Analysis: C, 36.79; H, 5.40; F, 21.82; N, 5.36; O, 30.63

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 957230-65-8 (tartrate)   169105-89-9 (free base)   161302-93-8 (HCl)   1084896-48-9 (acetate)   1084896-50-3 (TFA)   919364-56-0 (L-tartrate)  

Synonym: Afegostat TFA; Afegostat trifluoracetic acid; AT 2101; AT-2101; AT2101

IUPAC/Chemical Name: 3,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4R,5R)-, trifluoracetic acid

InChi Key: PNXZXZUWUKJXBH-RWOHWRPJSA-N

InChi Code: InChI=1S/C6H13NO3.C2HF3O2/c8-3-4-1-7-2-5(9)6(4)10;3-2(4,5)1(6)7/h4-10H,1-3H2;(H,6,7)/t4-,5-,6-;/m1./s1

SMILES Code: O[C@@H]1CNC[C@H](CO)[C@H]1O.O=C(O)C(F)(F)F

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

Shelf Life: >3 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 261.20 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:
In vitro protocol:
In vivo protocol:

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1: Front S, Almeida S, Zoete V, Charollais-Thoenig J, Gallienne E, Marmy C, Pilloud V, Marti R, Wood T, Martin OR, Demotz S. 4-epi-Isofagomine derivatives as pharmacological chaperones for the treatment of lysosomal diseases linked to β-galactosidase mutations: Improved synthesis and biological investigations. Bioorg Med Chem. 2018 Nov 1;26(20):5462-5469. doi: 10.1016/j.bmc.2018.09.023. Epub 2018 Sep 21. PubMed PMID: 30270003.

2: Lebl R, Thonhofer M, Tysoe C, Pabst BM, Schalli M, Weber P, Paschke E, Stütz AE, Tschernutter M, Windischhofer W, Withers SG. A Morita-Baylis-Hillman based route to C-5a-chain-extended 4-epi-isofagomine type glycosidase inhibitors. Carbohydr Res. 2017 Apr 10;442:31-40. doi: 10.1016/j.carres.2017.03.003. Epub 2017 Mar 6. PubMed PMID: 28288345.

3: Front S, Biela-Banaś A, Burda P, Ballhausen D, Higaki K, Caciotti A, Morrone A, Charollais-Thoenig J, Gallienne E, Demotz S, Martin OR. (5aR)-5a-C-Pentyl-4-epi-isofagomine: A powerful inhibitor of lysosomal β-galactosidase and a remarkable chaperone for mutations associated with GM1-gangliosidosis and Morquio disease type B. Eur J Med Chem. 2017 Jan 27;126:160-170. doi: 10.1016/j.ejmech.2016.09.095. Epub 2016 Sep 29. PubMed PMID: 27750150.