Eltrombopag - Moligand™, ≥99% , Agonist of Thrombopoietin receptor, CAS No.496775-61-2, Agonist of Thrombopoietin receptor

CAS: 496775-61-2 Cat. No.: E126824 分子式: C₂₅H₂₂N₄O₄ 分子量: 442.47 EC番号: 610-469-9

GRADE & PURITY Moligand™, ≥99%

Synonyms

BCP9000641 | D02363 | CHEBI:85010 | EN300-1709152 | XDXWLKQMMKQXPV-UHFFFAOYSA-N | SB497115 | SB-497115 | 3'-[(2Z)- [1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid | 3'-{2-[1-(

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Eltrombopag is a member of the biarylhydrazone class, which is a nonpeptide agonist of the thrombopoietin receptor (TpoR).
An agonist of the thrombopoietin receptor

Specifications

同義語

BCP9000641 | D02363 | CHEBI:85010 | EN300-1709152 | XDXWLKQMMKQXPV-UHFFFAOYSA-N | SB497115 | SB-497115 | 3'-[(2Z)- [1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid | 3'-{2-[1-(

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

An agonist of the Thrombopoietin (Tpo) receptor, used as treatment for thrombocytopenia.

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of Thrombopoietin receptor

純度

≥99%

名前と識別子

• パブケム・シド: 504773341
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504773341
• カノニカル・スマイル: CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C
• IUPAC Name: 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid
• InChIKey: SVOQIEJWJCQGDQ-UHFFFAOYSA-N
• INCHI: 1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
• 異性体SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C
• 分子量: 442.47
• Reaxy-Rn: 35490049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35490049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylpyrazoles Benzoic acids o-Xylenes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenylpyrazole - Benzoic acid - Benzoic acid or derivatives - O-xylene - Xylene - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyrazolinone - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

関連ターゲット（人間）

MPL Tclin Thrombopoietin receptor (1 Activities)

Discover Target: MPL

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

化学的性質と物理的性質

• 溶解度: 25°C: DMSO 89 mg/mL; Water <1 mg/mL; Ethanol <1 mg/mL
• 感度: air sensitive；heat sensitive
• 分子量: 442.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 442.164 Da
• Monoisotopic Mass: 442.164 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 812.000
• 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