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Bigelovin

CAT: 0013-GTR19165246-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19165246-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bigelovin
CAS Number
3668-14-2
Product Name Alternative
RAR, RAR/RXR, Reactive Oxygen Species, ReactiveOxygenSpecies, Retinoic acid receptors, Retinoid X receptors, retinoid X receptor α, Retinoid Receptor, RetinoidReceptor, RXR, inhibit, Inhibitor, Apoptosis, Autophagy, Bigelovin
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
99.40% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.57 mM) ; DMSO:60 mg/mL (197.15 mM)
Smiles
[H][C@]12C[C@@H] (C) [C@]3 ([H]) C=CC (=O) [C@@]3 (C) [C@@H] (OC (C) =O) [C@@H]1C (=C) C (=O) O2
Molecular Formula
C17H20O5
Molecular Weight
304.34
Storage Conditions
Keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Bigelovin

Bigelovin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. It has a role as an antineoplastic agent, an immunomodulator, an apoptosis inducer and a plant metabolite. It is an organic heterotricyclic compound, a gamma-lactone, a sesquiterpene lactone, a cyclic ketone and an acetate ester.

CAS Number3668-14-2
PubChem CID3080597
IUPAC Name[(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
Molecular FormulaC17H20O5
Molecular Weight304.34
XLogP2
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity604
SMILES
C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2
InChI
InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
InChIKey
DCNRYQODUSSOKC-MMLVVLEOSA-N
Chemical Structure
2D Structure
2D structure of Bigelovin
CAS: 3668-14-2
CID: 3080597
Formula: C17H20O5
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass304.13107373
Monoisotopic Mass304.13107373
Topological Polar Surface Area69.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB1862Bigelovin

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