Phorbol 12-myristate 13-acetate diester
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Phorbol 12-myristate 13-acetate diester
- DrugBank Accession Number
- DB17045
- Background
Phorbol 12-myristate 13-acetate diester is an inducer of neutrophil extracellular traps (NETs).1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 616.836
Monoisotopic: 616.397518763 - Chemical Formula
- C36H56O8
- Synonyms
- 12-o-tetradecanoylphorbol-13-acetate
- 12-tetradecanoylphorbol 13-acetate
- Phorbol 12-myristate 13-acetate
- Phorbol myristate acetate
- Pma (phorbol ester)
- Tetradecanoylphorbol acetate
- Tpa (phorbol ester)
- External IDs
- NSC-262244
- PMA
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- NI40JAQ945
- CAS number
- 16561-29-8
- InChI Key
- PHEDXBVPIONUQT-RGYGYFBISA-N
- InChI
- InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
- IUPAC Name
- (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate
- SMILES
- [H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C
References
- General References
- Masuda S, Kato K, Ishibashi M, Nishibata Y, Sugimoto A, Nakazawa D, Tanaka S, Tomaru U, Tsujino I, Ishizu A: Phorbol 12-myristate 13-acetate stimulation under hypoxia induces nuclear swelling with DNA outflow but not extracellular trap formation of neutrophils. Exp Mol Pathol. 2022 Apr;125:104754. doi: 10.1016/j.yexmp.2022.104754. Epub 2022 Mar 5. [Article]
- External Links
- KEGG Compound
- C05151
- ChemSpider
- 25977
- ChEBI
- 37537
- ChEMBL
- CHEMBL279115
- ZINC
- ZINC000008214783
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Leukemias 1 1 Terminated Treatment Chronic Myeloproliferative Disorders / Leukemias / Lymphoma / Multiple Myeloma and Plasma Cell Neoplasm / Myelodysplastic and Myeloproliferative Disorders / Myelodysplastic Syndrome / Precancerous/Nonmalignant Condition 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000724 mg/mL ALOGPS logP 5.53 ALOGPS logP 5.69 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 12.57 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 130.36 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 169.32 m3·mol-1 Chemaxon Polarizability 72.24 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 18:12 / Updated at December 01, 2022 11:34