1383427-47-1

Basic information

• Product Name: ingenol-5,20-acetonide-3-(2-allyloxy-6-methyl-benzoate)
• Synonyms: ingenol-5,20-acetonide-3-(2-allyloxy-6-methyl-benzoate)
• CAS NO: 1383427-47-1
• Molecular Weight: 562.703
• Mol File: 1383427-47-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: ingenol-5,20-acetonide-3-(2-allyloxy-6-methyl-benzoate)(CAS DataBase Reference)
• NIST Chemistry Reference: ingenol-5,20-acetonide-3-(2-allyloxy-6-methyl-benzoate)(1383427-47-1)
• EPA Substance Registry System: ingenol-5,20-acetonide-3-(2-allyloxy-6-methyl-benzoate)(1383427-47-1)

Safety Data

• Hazardous Substances Data: 1383427-47-1(Hazardous Substances Data)

Upstream product

• 634205-23-5 2-allyloxy-6-methylbenzoic acid 
• 634205-22-4 2-allyloxy-6-methylbenzoic acid ethyl ester 
• 6555-40-4 ethyl 2-hydroxy-6-methylbenzoate 
• 77573-43-4 (6S,6aR,7aR,9R,9aS,12S,12aR,12bR)-12,12a-dihydroxy-2,2,7,7,9,11-hexamethyl-4,6,6a,7,7a,8,9,12,12a,12b-decahydro-6,9a-methanocyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d][1,3]dioxin-13-one 
• 30220-46-3 ingenol 

Downstream Products

• 1383427-48-2 ingenol-5,20-acetonide-3-(2-hydroxy-6-methyl-benzoate) 
• 1383427-01-7 ingenol-3-(2-hydroxy-6-methyl-benzoate) 

Relevant articles and documents

Synthesis, biological evaluation and SAR of 3-benzoates of ingenol for treatment of actinic keratosis and non-melanoma skin cancer

Ingenol 3-benzoates were investigated with respect to chemical stability, pro-inflammatory effects, cell death induction and PKCδ activation. A correlation between structure, chemical stability and biological activity was found and compared to ingenol mebutate (ingenol 3-angelate) used for field treatment of actinic keratosis. We also provided further support for involvement of PKCδ for induction of oxidative burst and cytokine release. Molecular modeling and dynamics calculations corroborated the essential interactions between key compounds and C1 domain of PKCδ.