Thromboxane B2 (TXB2) - Moligand™, ≥99% , CAS No.54397-85-2

CAS: 54397-85-2 Cat. No.: T134488 Molecular Weight: 370.48 EC Number: 637-284-6 PubChem CID: 5283137

GRADE & PURITY Moligand™, ≥99%

Synonyms

TXB2 | 5-Heptenoic acid, 7-[(2R,3S,4S)-tetrahydro-4,6-dihydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-pyran-3-yl]-, (5Z)-rel- | Q3009646 | TXB2 | SR-01000946531 | HY-113331 | (5Z,13E,15S)-9alpha,11,15-trihydroxythromboxa-5,13-dien-1-oic acid | NCGC0016130

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

TXB2 (Thromboxane B2) is a stable metabolite of thromboxane A2 in platelets which may be released during anaphylaxis. Reportedly possesses chemotactic properties. Often used to measure arachidonic acid metabolism. It is a prostaglandin derivative that is released during anaphylaxis, which induces arterial contraction and platelet aggregation by stimulating TP-α receptors.
A stable metabolite of thromboxane B2.

Specifications

Synonyms

TXB2 | 5-Heptenoic acid, 7-[(2R, 3S, 4S)-tetrahydro-4, 6-dihydroxy-2-[(1E, 3S)-3-hydroxy-1-octen-1-yl]-2H-pyran-3-yl]-, (5Z)-rel- | Q3009646 | TXB2 | SR-01000946531 | HY-113331 | (5Z, 13E, 15S)-9alpha, 11, 15-trihydroxythromboxa-5, 13-dien-1-oic acid | NCGC0016130

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Prostaglandin derivative that is released during anaphylaxis; induces arterial contraction and platelet aggregation. Review of endogenous thromboxane B2 in risk analysis for development of thrombogenic disorders.

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™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCC(C=CC1C(C(CC(O1)O)O)CC=CCCCC(=O)O)O
• IUPAC Name: (Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
• InChIKey: XNRNNGPBEPRNAR-JQBLCGNGSA-N
• INCHI: 1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)C/C=C\CCCC(=O)O)O
• WGK Germany: 3
• PubChem CID: 5283137
• Molecular Weight: 370.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Thromboxanes
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids Oxanes Secondary alcohols Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thromboxane - Long-chain fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acid - Oxane - Unsaturated fatty acid - Hemiacetal - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thromboxanes. These are eicosanoids structurally characterized by the presence of a 6-member ether containing ring.
• External Descriptors: Thromboxanes

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)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

Discover Target: SLCO2B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC5 Tchem Multidrug resistance-associated protein 5 (50 Activities)

Discover Target: ABCC5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MRP3 Multidrug resistance associated protein (78 Activities)

Discover Target: MRP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO3A1 Tbio Solute carrier organic anion transporter family member 3A1 (19 Activities)

Discover Target: SLCO3A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

Discover Target: Abcc1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco2a1 Solute carrier organic anion transporter family member 2A1 (47 Activities)

Discover Target: Slco2a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (~100 mg/ml), ethyl acetate, PBS pH7.2 (~100 μg/ml), and methyl acetate (~10 mg/ml). Insoluble in water.
• Molecular Weight: 370.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 370.236 Da
• Monoisotopic Mass: 370.236 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 448.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1