Cas no 71111-01-8 (PTA2 (Pinane thromboxane A2))

PTA2 (Pinane thromboxane A2) structure
PTA2 (Pinane thromboxane A2) structure
Product Name:PTA2 (Pinane thromboxane A2)
CAS No:71111-01-8
MF:C24H40O3
MW:376.57260799408
CID:565243
PubChem ID:3417932
Update Time:2025-07-16

PTA2 (Pinane thromboxane A2) Chemical and Physical Properties

Names and Identifiers

    • 5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-,(5Z)-
    • 5-Heptenoic acid,7-[(1S,2R,3R,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1...
    • 7-[3-(3-hydroxyoct-1-enyl)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
    • Pinane Thromboxane A2
    • PTA2 (Pinane thromboxane A2)
    • Pinane TXA2
    • 7-[3-(3-hydroxyoct-1-enyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
    • (Z)-7-[(1S,2R,3R,5S)-3-[(E,3S)-3-Hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
    • 15(S)-Pinane Thromboxane A2
    • PINANETHROMBOXANEA2
    • DTXSID30392309
    • 71111-01-8
    • Inchi: 1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)
    • InChI Key: OHJIHGVLRDHSDV-UHFFFAOYSA-N
    • SMILES: OC(CCCCC)C=CC1CC2CC(C1CC=CCCCC(=O)O)C2(C)C

Computed Properties

  • Exact Mass: 376.29800
  • Monoisotopic Mass: 376.298
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 12
  • Complexity: 520
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5A^2
  • XLogP3: 6.2

Experimental Properties

  • PSA: 57.53000
  • LogP: 5.98340

PTA2 (Pinane thromboxane A2) Security Information

  • Hazardous Material transportation number:UN 1170 3/PG 2
  • Hazard Category Code: 11-36/37/38
  • Safety Instruction: S16; S26; S36
  • Hazardous Material Identification: F Xi
  • Storage Condition:?20°C
  • Risk Phrases:R11; R36/37/38

PTA2 (Pinane thromboxane A2) Pricemore >>

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PTA2 (Pinane thromboxane A2) Related Literature

Additional information on PTA2 (Pinane thromboxane A2)

Pinane Thromboxane A2 (PTA2) - A Comprehensive Overview

Pinane Thromboxane A2 (PTA2), also known by its CAS number 71111-01-8, is a bioactive compound that has garnered significant attention in the fields of pharmacology and biotechnology. This compound is derived from the structural modification of thromboxane A2, a potent vasoconstrictor and platelet aggregator. The incorporation of the pinane moiety into its structure has been shown to enhance its pharmacokinetic properties, making it a promising candidate for therapeutic applications.

The synthesis of PTA2 involves a multi-step process that includes the isolation of thromboxane A2 from natural sources, followed by chemical modification to introduce the pinane group. This process ensures that the compound retains its biological activity while improving its stability and bioavailability. Recent studies have demonstrated that PTA2 exhibits potent anti-inflammatory and anti-thrombotic effects, which are critical for treating conditions such as cardiovascular diseases and inflammatory disorders.

In terms of mechanism of action, PTA2 primarily interacts with the thromboxane receptor (TP), which is expressed in various tissues, including the vasculature and immune cells. Activation of this receptor leads to downstream signaling pathways that regulate vasoconstriction, platelet aggregation, and inflammation. However, due to its modified structure, PTA2 shows selectivity towards certain isoforms of the TP receptor, reducing off-target effects and improving its therapeutic index.

Recent advancements in computational chemistry have enabled researchers to perform detailed molecular docking studies on PTA2. These studies have provided insights into the binding affinity of PTA2 with various receptors and enzymes, paving the way for the development of more potent analogs. For instance, a study published in 2023 highlighted the potential of PTA2-based therapies in managing chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.

In addition to its pharmacological applications, PTA2 has also been explored for its potential in diagnostic imaging. Researchers have developed radiolabeled derivatives of PTA2 that can be used to visualize TP receptor expression in vivo. This approach has shown promise in early-stage diagnosis of cardiovascular diseases, where TP receptor expression is often upregulated.

The safety profile of PTA2 has been extensively evaluated in preclinical models. Studies indicate that it exhibits low toxicity at therapeutic doses, with no significant adverse effects on major organ systems. However, further clinical trials are required to confirm these findings and establish its safety profile in humans.

In conclusion, Pinane Thromboxane A2 (PTA2), with its CAS number 71111-01-8, represents a novel class of bioactive compounds with potential applications in treating a wide range of diseases. Its unique structure, combined with advancements in synthetic chemistry and molecular biology, positions it as a leading candidate for future therapeutic interventions. As research continues to uncover new insights into its mechanisms and applications, the prospects for PTA2-based therapies remain highly promising.

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