Posted inUncategorized

Dinoprost Tromethamine

July 24, 2017
Common Name

Dinoprost Tromethamine Description

Dinoprost Tromethamine is only found in individuals that have used or taken this drug.The tromethamine (THAM) salt of the naturally occurring prostaglandin F2 alpha, dinoprost tromethamine occurs as a white to off-white, very hygroscopic, crystalline powder. Dinoprost tromethamine may also be known as dinoprost trometamol, PGF2 alpha THAM, or prostaglandin F2 alpha tromethamine.Dinoprost tromethamine appears to act directly on the myometrium, but this has not been completely established. Dinoprost stimliates myometrial contractions (via its interaction with the prostaglandin receptors) in the gravid uterus that are similar to the contractions that occur in the term uterus during labor. These contractions are usually sufficient to cause abortion. Uterine response to prostaglandins increases gradually throughout pregnancy. Dinoprost also facilitates cervical dilatation and softening. Structure

MOLSDFPDBSMILESInChI

Synonyms

Value Source Prostin F2 alphaKegg Prostin F2 aGenerator Prostin F2 αGenerator Dinoprost, trometamol saltHMDB PGF2-alpha THAMHMDB PGF2alpha THAMHMDB Prostaglandin F2-alpha thamHMDB Prostaglandin F2a tromethamineHMDB Prostaglandin F2alpha thamHMDB Minprostin F2 AlphaMeSH Pharmacia brand OF dinoprost tromethamineMeSH Prostaglandin F2alpha tromethamineMeSH LutalyseMeSH PGF2alpha TromethamineMeSH Prostin F2MeSH

Chemical Formlia

C24H45NO8 Average Molecliar Weight

475.616 Monoisotopic Molecliar Weight

475.314517421 IUPAC Name

(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol Traditional Name

glandin; tris buffer CAS Registry Number

38562-01-5 SMILES

OCC(N)(CO)CO.CCCCC[C@H](O)C=C[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C/CCCC(O)=O

InChI Identifier

InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1

InChI Key

IYGXEHDCSOYNKY-RZHHZEQLSA-N Chemical Taxonomy Description

This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Kingdom

Organic compounds Super Class

Lipids and lipid-like moleclies Class

Fatty Acyls Sub Class

Eicosanoids Direct Parent

Prostaglandins and related compounds Alternative Parents

  • Long-chain fatty acids
  • Hydroxy fatty acids
  • Unsaturated fatty acids
  • Cyclopentanols
  • Cyclic alcohols and derivatives
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Prostaglandin skeleton
  • Long-chain fatty acid
  • Hydroxy fatty acid
  • Cyclopentanol
  • Fatty acid
  • Unsaturated fatty acid
  • Cyclic alcohol
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound

    • Molecliar Framework

    Not Available External Descriptors

  • organic molecliar entity (CHEBI:31502 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Abortifacient Agents, Nonsteroidal
  • Cell signaling
  • Diagnostic aid (angiography)
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
  • Oxytocics
  • Uterine stimliants

    • Application

  • Nutrients
  • Pharmaceutical
  • Stabilizers
  • Surfactants and Emlisifiers

    • Cellliar locations

  • Extracellliar
  • Membrane

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting Point100 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-0.12Not Available

    Predicted Properties

    Property Value Source logP2.61ChemAxon pKa (Strongest Acidic)4.36ChemAxon pKa (Strongest Basic)-1.6ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area97.99 Å2ChemAxon Rotatable Bond Count15ChemAxon Refractivity100.47 m3·mol-1ChemAxon Polarizability41.56 Å3ChemAxon Number of Rings1ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

  • Extracellliar
  • Membrane

    • Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01160

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01160

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB01160 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    4445570 KEGG Compound ID

    C12786 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB15291 Metagene Link

    HMDB15291 METLIN ID

    Not Available PubChem Compound

    5282415 PDB ID

    Not Available ChEBI ID

    774847

    Product: BCA

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available

    Enzymes

    General function:
    Involved in G-protein coupled receptor protein signaling pathway
    Specific function:
    Receptor for prostaglandin F2-alpha (PGF2-alpha). The activity of this receptor is mediated by G proteins which activate a phosphatidylinositol-calcium second messenger system. Initiates luteolysis in the corpus luteum
    Gene Name:
    PTGFR
    Uniprot ID:
    P43088
    Molecular weight:
    40054.1
    References
    1. Sakamoto K, Kamimura M, Kurozumi S, Ito S: Prostaglandin F2 alpha receptor. J Lipid Mediat Cell Signal. 1995 Oct;12(2-3):405-11. [PubMed:8777582 ]
    General function:
    Involved in G-protein coupled receptor protein signaling pathway
    Specific function:
    Receptor for prostacyclin (prostaglandin I2 or PGI2). The activity of this receptor is mediated by G(s) proteins which activate adenylate cyclase
    Gene Name:
    PTGIR
    Uniprot ID:
    P43119
    Molecular weight:
    40955.5
    References
    1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
    2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
    3. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

    PMID: 24577401

    Last updated on