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Bruceine D

CAT: 0013-GTR19164436-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164436-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bruceine D, a natural compound from Brucea javanica, exhibits antiviral potential and demonstrates in vitro anti-pancreatic cancer activity. It induces apoptosis in cell lines like PANC-1 and Capan-2 via the mitochondrial pathway, supporting its study in oncology and virology research.
CAS Number
21499-66-1
Product Name Alternative
Apoptosis, Antiviral, Bruceine D, Gammasecretase, Inhibitor, Notch, inhibit, Parasite
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Neuroscience, Protein Biochemistry, Stem Cell & Developmental Biology
Purity
95.00% (May vary between batches)
Solubility
Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble; DMSO:257.5 mg/mL (627.41 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.87 mM)
Smiles
CC1=CC (=O) [C@@H] (O) [C@@]2 (C) [C@H]1C[C@H]1OC (=O) [C@H] (O) [C@@]3 (O) [C@]4 (C) OC[C@]13C2[C@@H] (O) [C@@H]4O
Molecular Formula
C20H26O9
Molecular Weight
410.42
Storage Conditions
Store at low temperature | 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

Bruceine D

Bruceine D is a quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 14 and 15 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. It has a role as a metabolite, an antineoplastic agent and a plant metabolite. It is a delta-lactone, a secondary alpha-hydroxy ketone, a pentol, an organic heteropentacyclic compound and a quassinoid. It derives from a hydride of a picrasane.

CAS Number21499-66-1
PubChem CID441788
IUPAC Name(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Molecular FormulaC20H26O9
Molecular Weight410.4
XLogP-2.4
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity855
SMILES
CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4([C@H](C(=O)O3)O)O)(OC5)C)O)O)C)O
InChI
InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
InChIKey
JBDMZGKDLMGOFR-KQSRGDCESA-N
Chemical Structure
2D Structure
2D structure of Bruceine D
CAS: 21499-66-1
CID: 441788
Formula: C20H26O9
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass410.15768240
Monoisotopic Mass410.15768240
Topological Polar Surface Area154 Ų
Heavy Atom Count29
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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