ONO-3080573 - Moligand™ , Antagonist of LPA 1 receptor, CAS No.O612512, Antagonist of LPA 1 receptor

CAS: O612512 Cat. No.: O612512 PubChem CID: 91799238

GRADE & PURITY Moligand™

Synonyms

ON3

Storage

Room temperature

Specifications

Synonyme

ON3

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of LPA 1 receptor

Namen und Kennungen

Kanonisches Lächeln

COc1cc(cc(c1C)OC)[C@H]([C@@H](OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)O)O

IUPAC Name

1-[4-[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropoxy]phenyl]cyclopropane-1-carboxylic acid

InChIKey

FVESDCZDESZGHA-URLMMPGGSA-N

INCHI

1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1

Isomere SMILES

CC1=C(C=C(C=C1OC)[C@H]([C@H](COC2=CC=C(C=C2)C3(CC3)C(=O)O)OC4CC5=CC=CC=C5C4)O)OC

PubChem CID

91799238

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Indanes Phenoxy compounds Anisoles Toluenes Alkyl aryl ethers Cyclopropanecarboxylic acids Secondary alcohols Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Indane - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic alcohol - Organic oxide - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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)

LPAR1 Tchem Lysophosphatidic acid receptor 1 (1 Activities)

Discover Target: LPAR1

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