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Hellebrigenin

CAT: 0013-GTR19183449-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183449-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hellebrigenin is a small molecule that inhibits MAPK pathways (ERK, p38, JNK) and XIAP, downregulating Akt and inducing apoptosis via caspase activation and DNA damage. It demonstrates anti-proliferative effects in research models of oral squamous cell carcinoma and liver cancer, both in vitro and in vivo.
CAS Number
465-90-7
Product Name Alternative
CDK, Akt, PARP, Hellebrigenin
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Protein Biochemistry, Signal Transduction
Purity
99.98% (May vary between batches)
Smiles
C (=O) [C@@]12[C@@]3 ([C@] ([C@]4 (O) [C@] (C) (CC3) [C@H] (CC4) C=5C=CC (=O) OC5) (CC[C@]1 (O) C[C@@H] (O) CC2) [H]) [H]
Molecular Formula
C24H32O6
Molecular Weight
416.51
Storage Conditions
Keep away from moisture, keep away from direct sunlight, The compound is unstable in solution. Please use soon | 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

Hellebrigenin

Hellebrigenin is a steroid aldehyde, a steroid lactone, a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 19-oxo steroid and a 5beta-hydroxy steroid. It has a role as an autophagy inducer, an antineoplastic agent, an apoptosis inducer, an antileishmanial agent, an animal metabolite and a plant metabolite. It is functionally related to a 5beta-bufanolide.

CAS Number465-90-7
PubChem CID259577
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular FormulaC24H32O6
Molecular Weight416.5
XLogP1.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity834
SMILES
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
InChI
InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
InChIKey
TVKPTWJPKVSGJB-XHCIOXAKSA-N
Chemical Structure
2D Structure
2D structure of Hellebrigenin
CAS: 465-90-7
CID: 259577
Formula: C24H32O6
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass416.21988874
Monoisotopic Mass416.21988874
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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