Eltrombopag - Moligand™, 10mM in DMSO , Agonist of Thrombopoietin receptor, CAS No.496775-61-2, Agonist of Thrombopoietin receptor

CAS: 496775-61-2 Cat. No.: E424282 분자식: C₂₅H₂₂N₄O₄ 분자량: 442.47 EC 번호: 610-469-9

등급 & 순도 Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

사양

동의어

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-(

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of Thrombopoietin receptor

이름과 식별자

Pubchem Sid

528764391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764391

정식 스마일

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)

이성체 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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

MPL Tclin Thrombopoietin receptor (1 Activities)

Discover Target: MPL

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

화학 및 물리적 특성

• 분자량: 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