Afegostat

CAT: 0013-GTR19202795-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19202795-02Size:50 mg

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Description

Afegostat is a high-affinity, reversible pharmacological chaperone for acid-β-glucosidase (GCase), stabilizing the enzyme in the endoplasmic reticulum. It is used in research models of Gaucher disease to study enzyme enhancement and cellular pathology in both in vitro and in vivo experimental systems.

CAS Number

169105-89-9

Field of Research

Metabolism Research

Smiles

C (O) [C@@H]1[C@@H] (O) [C@H] (O) CNC1

Molecular Formula

C6H13NO3

Molecular Weight

147.17

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Afegostat

Afegostat is a member of piperidines.

CAS Number	169105-89-9
PubChem CID	447607
IUPAC Name	(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
Molecular Formula	C6H13NO3
Molecular Weight	147.17
XLogP	-1.5
Topological Polar Surface Area	72.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	109

SMILES

C1[C@@H]([C@H]([C@@H](CN1)O)O)CO

InChI

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

InChIKey

QPYJXFZUIJOGNX-HSUXUTPPSA-N

Chemical Structure

2D Structure

CAS: 169105-89-9

CID: 447607

Formula: C6H13NO3

MW: 147.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	147.08954328
Monoisotopic Mass	147.08954328
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA7759-5	Afegostat
MBS5814014	Afegostat TFA
A21137-10	Afegostat 10mg
MBS5815228	L-Afegostat
HY-14829A	Afegostat (hydrochloride)
HY-14829B	Afegostat (tartrate)
A21137-25	Afegostat 25mg
MBS5773420	Afegostat HCl
HY-14829H	Afegostat (TFA)
A21137-5	Afegostat 5mg

Afegostat

Chemical Information

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