API reference
Ingenol mebutate
- CAS number
- 75567-37-2
- Molecular formula
- C25H34O6
- Molecular weight
- 430.5 g/mol
About this molecule
Ingenol mebutate was approved by the FDA in January 2012, and it is marketed under the name Picato®. Picato gel is indicated for the topical treatment of actinic keratosis. Before approval, ingenol mebutate was called PEP005 as an investigational drug. PEP005 is a selective small molecule activator of protein kinase C (PKC) extracted from the plant Euphorbia peplus, whose sap has been used as a traditional medicine for the treatment of skin conditions including warts and cancer. PEP005 also has potent anti-leukemic effects, inducing apoptosis in myeloid leukemia cell lines and primary AML cells at nanomolar concentrations.
Source: DrugBank, via PubChem.
Identifiers
- IUPAC name
- [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
- InChIKey
- VDJHFHXMUKFKET-WDUFCVPESA-N
- SMILES
- C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C
- PubChem CID
- 6918670
Also known as
Ingenol mebutate · Ingenol 3-angelate · 3-Ingenyl angelate · 3-Angeloylingenol · PEP-005 · PEP005 · Ingenol-3-angelate · PEP 005
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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