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Celgosivir

CAT: 0013-GTR19206264-03Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206264-03Size:1 mg
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Description
Celgosivir, a derivative of castanospermine, acts as an α-glucosidase I inhibitor. It demonstrates antiviral activity in vitro, such as inhibiting bovine viral diarrhoea virus (BVDV) with an IC50 of 1.27 μM. This compound is used in research on viral pathogenesis and the development of antiviral therapies.
CAS Number
121104-96-9
Field of Research
Infectious Disease & Virology, Metabolism Research, Protein Biochemistry
Purity
98.03% (May vary between batches)
Smiles
O[C@@H]1[C@@]2 (N (C[C@H] (OC (CCC) =O) [C@H]1O) CC[C@@H]2O) [H]
Molecular Formula
C12H21NO5
Molecular Weight
259.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Celgosivir

Celgosivir is a 6-0-butanoyl ester derivative of castanospermine, a compound derived from the Australian chestnut with activity against hepatitis C virus. Celgosivir rapidly converts to castanospermine in the body, where it is a potent inhibitor of alpha-glucosidase I, a host enzyme required for viral assembly, release, and infectivity.

CAS Number121104-96-9
PubChem CID60734
IUPAC Name[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate
Molecular FormulaC12H21NO5
Molecular Weight259.30
XLogP-0.8
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity311
SMILES
CCCC(=O)O[C@H]1CN2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O
InChI
InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1
InChIKey
HTJGLYIJVSDQAE-VWNXEWBOSA-N
Chemical Structure
2D Structure
2D structure of Celgosivir
CAS: 121104-96-9
CID: 60734
Formula: C12H21NO5
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass259.14197277
Monoisotopic Mass259.14197277
Topological Polar Surface Area90.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
444167-01Celgosivir
HY-16134A-01Celgosivir (hydrochloride)
A13118-1Celgosivir 1mg
A13118-25Celgosivir 25mg
A13118-5Celgosivir 5mg
A13118-2Celgosivir 2mg
CS-O-43560Celgosivir hydrochloride
A13118-100Celgosivir 100mg
A13118-500Celgosivir 500mg
A13118-50Celgosivir 50mg

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