ERDRP-0519 - Moligand™,≥98% , CAS No.1374006-96-8

CAS: 1374006-96-8 Cat. No.: E412975 Fórmula: C₂₃H₃₀F₃N₅O₄S Peso molecular: 529.58

GRAU & PUREZA Moligand™, ≥98%

Synonyms

HY-102074 | 1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 1-methyl-N-(4-{[(2S)-2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl]sulfonyl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-ca

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

ERDRP-0519, a small-molecule Measles virus (MeV) polymerase inhibitor, prevents measles disease in squirrel monkeys (Saimiri sciureus). ERDRP-0519 inhibits morbilliviruses with nanomolar potency.

Especificações

Sinónimos

HY-102074 | 1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 1-methyl-N-(4-{[(2S)-2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl]sulfonyl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-ca

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

ERDRP-0519 is a inhibitor of polymerase that shows efficacy against a lethal morbillivirus infection in a large animal model.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3CCN4CCOCC4

IUPAC Name

2-methyl-N-[4-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

InChIKey

JVZHTUQIMBYDSX-SFHVURJKSA-N

INCHI

1S/C23H30F3N5O4S/c1-29-20(16-21(28-29)23(24,25)26)22(32)27-17-5-7-19(8-6-17)36(33,34)31-10-3-2-4-18(31)9-11-30-12-14-35-15-13-30/h5-8,16,18H,2-4,9-15H2,1H3,(H,27,32)/t18-/m0/s1

SMILES isoméricas

CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC[C@H]3CCN4CCOCC4

Peso molecular

529.58

Reaxy-Rn

22583846

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22583846&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds 2-heteroaryl carboxamides Pyrazole-5-carboxamides Morpholines Organosulfonamides Piperidines Heteroaromatic compounds Sulfonyls Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Benzenesulfonamide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Organosulfonic acid amide - Piperidine - Oxazinane - Morpholine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Pyrazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Alvos associados (humanos)

Caco-2 (12174 Activities)

Explore this target

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

Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Measles morbillivirus (693 Activities)

Explore this target

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

Vero (26788 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 529.600 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 529.197 Da
• Monoisotopic Mass: 529.197 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 842.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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