hetrombopag - Moligand™ , Thrombopoietin receptor agonist, CAS No.1257792-41-8, Thrombopoietin receptor agonist

CAS: 1257792-41-8 Cat. No.: H610820 Peso molecular: 458.5 PubChem CID: 135565610

GRADE & PURITY Moligand™

Synonyms

Hetrombopag [WHO-DD] | (Z)-5-(2-Hydroxy-3-(2-(3-methyl-5-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)phenyl) furan-2-carboxylic acid | UNII-9WGT51BDDL | 2600513-51-5 | HY-145589 | (Z)-5-(2-hydroxy-3-{N'-[3-methyl-5-oxo-1-

Storage

Room temperature

Specifications

Sinónimos

Hetrombopag [WHO-DD] | (Z)-5-(2-Hydroxy-3-(2-(3-methyl-5-oxo-1-(5, 6, 7, 8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)phenyl) furan-2-carboxylic acid | UNII-9WGT51BDDL | 2600513-51-5 | HY-145589 | (Z)-5-(2-hydroxy-3-{N'-[3-methyl-5-oxo-1-

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Thrombopoietin receptor agonist

Propiedades del producto

• ALogP: 5.4

Nombres e identificadores

• Sonrisas canónicas: Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2
• IUPAC Name: 5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid
• InChIKey: YATJUTCKRWETAB-UHFFFAOYSA-N
• INCHI: 1S/C25H22N4O5/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33/h4,7-13,28,30H,2-3,5-6H2,1H3,(H,32,33)
• Isómeros SMILES: CC1=C(C(=O)N(N1)C2=CC3=C(CCCC3)C=C2)N=NC4=CC=CC(=C4O)C5=CC=C(O5)C(=O)O
• PubChem CID: 135565610
• Peso molecular: 458.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Furoic acids 1-hydroxy-4-unsubstituted benzenoids Pyrazolones Benzene and substituted derivatives Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azo compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetralin - Furoic acid or derivatives - Furoic acid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyrazolinone - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Furan - Azole - Lactam - Azo compound - Oxacycle - 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 heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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)

MPL Tclin Thrombopoietin receptor (0 Activities)

Discover Target: MPL

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

Propiedades químicas y físicas

• Peso molecular: 458.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 458.159 Da
• Monoisotopic Mass: 458.159 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 860.000
• 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