Edg-2 receptor inhibitor 1（SAR-100842） - Moligand™, ≥98% , Antagonist of LPA 1 receptor, CAS No.1195941-38-8, Antagonist of LPA 1 receptor

CAS: 1195941-38-8 Cat. No.: M613410 Peso molecular: 445.51 Número EC: 877-349-8 PubChem CID: 44481866

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS030525390 | GTPL11315 | HY-100185 | SCHEMBL1560214 | AKOS009158429 | 2-(4-methoxy-3-(2-m-tolyl-ethoxy)benzoylamino)indane-2-carboxylic acid | CZN001 | CZN-001 | FIPAXALPARANT [INN] | 2-(4-Methoxy-3-(2-m-tolyl-ethoxy)-benzoylamino)-indan-2-carboxylic a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Edg-2 receptor inhibitor 1 (SAR-100842) is an Edg-2 receptor inhibitor extracted (IC50: <0.1 μM).

in vitro activity：

Edg-2 receptor inhibitor 1 is an inhibitor of endothelial differentiation gene receptor 2 ( Edg-2, EDG2 ), which is activated by lysophosphatidic acid ( LPA ) and is also known as LPA1 receptor. This compound can be used for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure. This product is only suitable for scientific research .

Specifications

Sinónimos

AKOS030525390 | GTPL11315 | HY-100185 | SCHEMBL1560214 | AKOS009158429 | 2-(4-methoxy-3-(2-m-tolyl-ethoxy)benzoylamino)indane-2-carboxylic acid | CZN001 | CZN-001 | FIPAXALPARANT [INN] | 2-(4-Methoxy-3-(2-m-tolyl-ethoxy)-benzoylamino)-indan-2-carboxylic a

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Antagonist of LPA 1 receptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OC
• IUPAC Name: 2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
• InChIKey: SOJDTNUCCXWTMG-UHFFFAOYSA-N
• INCHI: 1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)
• Isómeros SMILES: CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OC
• PubChem CID: 44481866
• Peso molecular: 445.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives
            • Level7 Hippuric acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides - Hippuric acids and derivatives
• Direct Parent: Hippuric acids
• Alternative Parents: N-acyl-alpha amino acids Indanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Indane - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
• 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

Objetivos asociados (humanos)

LPAR1 Tchem Lysophosphatidic acid receptor 1 (0 Activities)

Discover Target: LPAR1

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

Objetivos asociados (no humanos)

Lpar3 Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (2 Activities)

Discover Target: Lpar3

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 445.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 445.189 Da
• Monoisotopic Mass: 445.189 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 667.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1