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Brevilin A

CAT: 0931-T4672-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T4672-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16503-32-5
Target
Anti-infection, Apoptosis, JAK, Autophagy, STAT
Related Pathways
Autophagy, Angiogenesis, Stem Cells, Apoptosis, Microbiology/Virology, Tyrosine Kinase/Adaptors, Chromatin/Epigenetic, JAK/STAT signaling
Purity
>99.99%
Bioactivity
Brevilin A is a sesquiterpene lactone isolated from Centipeda minima, inhibits janus kinase activity and blocks STAT3 signaling in cancer cells with anti-tumor activity. Brevilin A is a selective inhibitor of JAK-STAT signal pathway by attenuating the JAKs activity and blocking STAT3 signaling (IC50 = 10.6 μM) in Cancer Cells.Brevilin A induces apoptosis and autophagy via mitochondrial pathway and PI3K/AKT/mTOR inactivation in colon adenocarcinoma cell CT26.antitumour
Smiles
[H][C@@]12C[C@@H](C)[C@]3([H])C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C(\C)=C/C)[C@]1([H])[C@H](C)C(=O)O2
Molecular Formula
C20H26O5
Molecular Weight
346.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Brevilin A

(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-3H,3aH,4H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate has been reported in Arnica longifolia with data available.

CAS Number16503-32-5
PubChem CID12302076
IUPAC Name[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC20H26O5
Molecular Weight346.4
XLogP2.3
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity676
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C
InChI
InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14-,16-,17+,20+/m1/s1
InChIKey
KUPPZVXLWANEJJ-UXPPPGSFSA-N
Chemical Structure
2D Structure
2D structure of Brevilin A
CAS: 16503-32-5
CID: 12302076
Formula: C20H26O5
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass346.17802393
Monoisotopic Mass346.17802393
Topological Polar Surface Area69.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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