ONO-4057 - Moligand™ , Antagonist of BLT 1 receptor, CAS No.134578-96-4, Antagonist of BLT 1 receptor

CAS: 134578-96-4 Cat. No.: O612514 PubChem CID: 6438358

GRADE & PURITY Moligand™

Synonyms

2-(4-Carboxybutoxy)-6-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]benzenepropanoic acid | GTPL6157 | Q27088186 | SCHEMBL119003 | AKOS040742340 | BDBM50037382 | 5-(2-(2-Carboxyethyl)-3-(6-(4-methoxyphenyl)-5E-hexenyl)oxyphenoxy)valeric acid | ONO-LB 457 |

Storage

Room temperature

Specifications

Synonyme

2-(4-Carboxybutoxy)-6-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]benzenepropanoic acid | GTPL6157 | Q27088186 | SCHEMBL119003 | AKOS040742340 | BDBM50037382 | 5-(2-(2-Carboxyethyl)-3-(6-(4-methoxyphenyl)-5E-hexenyl)oxyphenoxy)valeric acid | ONO-LB 457 |

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of BLT 1 receptor

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC=C(C=C1)C=CCCCCOC2=C(C(=CC=C2)OCCCCC(=O)O)CCC(=O)O
• IUPAC Name: 5-[2-(2-carboxyethyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid
• InChIKey: JOPSSWGWLCLPPF-RUDMXATFSA-N
• INCHI: 1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+
• Isomere SMILES: COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C(=CC=C2)OCCCCC(=O)O)CCC(=O)O
• Alternative CAS-Nummer: 134578-96-4
• PubChem CID: 6438358
• MeSH-Eintrag: 5-(2-(2-carboxyethyl)-3-(6-(4-methoxyphenyl)-5E-hexenyl)oxyphenoxy)valeric acid;ONO 4057;ONO-4057;ONO-LB 457;ONO-LB-457

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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

Zugehörige Ziele (menschlich)

LTB4R Tchem Leukotriene B4 receptor 1 (4 Activities)

Discover Target: LTB4R

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

LTB4R Tchem Leukotriene B4 receptor 1 (1083 Activities)

Discover Target: LTB4R

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

Homo sapiens (32628 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Cavia porcellus (23802 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 470.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 470.23 Da
• Monoisotopic Mass: 470.23 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 598.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 134578-96-4. InChIKey JOPSSWGWLCLPPF-RUDMXATFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.