Ingenol 3,20-dibenzoate

• CAT Number: I029366
• CAS Number: 59086-90-7
• Molecular Formula: C34H36O7
• Molecular Weight: 556.66
• Purity: 98%
• Solubility: Soluble in DMSO
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: ((1aR,2S,5R,5aS,6S,9R,10aR)-6-(Benzoyloxy)-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-4-yl)methyl benzoate
• InChI: InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33?,34+/m1/s1
• InChIKey: GIMKEHNOTHXONN-HNIMUKOUSA-N
• SMILES: O=C(OCC1=C[C@@](C2=O)([H])[C@@]3([H])[C@@](C3(C)C)([H])C[C@@H](C)C2(C=C(C)[C@@H]4OC(C5=CC=CC=C5)=O)[C@]4(O)[C@@H]1O)C6=CC=CC=C6

Ingenol 3,20-dibenzoate (Cat.No:I029366)) is a synthetic derivative of ingenol, a natural compound found in plants of the Euphorbia genus. It exhibits anti-tumor activity by activating protein kinase C (PKC) pathways, leading to cell cycle arrest and apoptosis in cancer cells. Ingenol 3,20-dibenzoate is being studied for its potential in cancer therapy.

Reference

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