Carbocyclic Thromboxane A2 - Moligand™, A solution in ethanol , Agonist of TP receptor, CAS No.74034-56-3, Agonist of TP receptor

CAS: 74034-56-3 Cat. No.: C355698 Molecular Weight: 348.52 PubChem CID: 5311387

GRADE & PURITY Moligand™, A solution in ethanol

Synonyms

Q27075708 | UNII-0K593AJ3OL | Carbocyclic thromboxane A2 | thromboxane A2, carbocyclic | 0K593AJ3OL | Carbocyclic TXA2 | CTA2 | CTA-2 | ZIWNJZLXPXFNGN-JJPTUHNDSA-N | 9alpha,11alpha,11a-dicarba-TXA2 | GTPL1970 | 5-Heptenoic acid, 7-((2S,3R)-3-((1E,3S)-3-hy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Carbocyclic Thromboxane A2(CTA2) is a stable analog of TXA2 which acts as a potent coronary vasoconstrictor at low concentrations. Unlike other vascular TP receptor agonists, CTA2 is a potent inhibitor of prostanoid-induced platelet aggregation, specifically arachidonic acid-induced aggregation (IC|50|= 4-5 μM). CTA2 also exhibits dose-dependent and selective inhibition of TXB2 synthesis in rabbit platelets at concentrations between 1 and 100 μM.

Specifications

Synonyms

Q27075708 | UNII-0K593AJ3OL | Carbocyclic thromboxane A2 | thromboxane A2, carbocyclic | 0K593AJ3OL | Carbocyclic TXA2 | CTA2 | CTA-2 | ZIWNJZLXPXFNGN-JJPTUHNDSA-N | 9alpha, 11alpha, 11a-dicarba-TXA2 | GTPL1970 | 5-Heptenoic acid, 7-((2S, 3R)-3-((1E, 3S)-3-hy

Specifications & Purity

Moligand™, A solution in ethanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TP receptor

Names and Identifiers

• Canonical Smiles: CCCCCC(C=CC1CC2CC(C2)C1CC=CCCCC(=O)O)O
• IUPAC Name: (Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
• InChIKey: ZIWNJZLXPXFNGN-GXTQQWMXSA-N
• INCHI: 1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m0/s1
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1CC2CC(C2)[C@@H]1C/C=C\CCCC(=O)O)O
• Alternate CAS: 74034-56-3
• PubChem CID: 5311387
• MeSH Entry Terms: 2 beta-(Z),3 alpha-(1E,3R)-3-(3-hydroxy-(1-octenyl)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid;carbocyclic thromboxane A2;thromboxane A2, carbocyclic
• Molecular Weight: 348.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in water (>0.1 mg/ml at 25.0° C), DMSO (~25 mg/ml), DMF (~25 mg/ml), PBS(pH 7.2) (~0.1 mg/ml), and ethanol.
• Boil Point(°C): 78° C
• Molecular Weight: 348.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 348.266 Da
• Monoisotopic Mass: 348.266 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 448.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1