ML303 - ≥98% , CAS No.1638211-04-7

CAS: 1638211-04-7 Cat. No.: M413127 Fórmula: C₂₁H₁₆F₃N₃O₂ Peso molecular: 399.37 Número EC: 109-593-1

CALIDAD & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

ML303 is a pyrazolopyridine influenza virus nonstructural protein 1 (NS1) antagonist with IC90 of 155 nM and EC50 of 0.7 μM for Influenza A virus H1N1.

Especificaciones

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

ML303 is a pyrazolopyridine influenza virus nonstructural protein 1 (NS1) antagonist with IC90 of 155 nM and EC50 of 0.7 μM for Influenza A virus H1N1.

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.

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528765521

Sonrisas canónicas

CC1=NN(C2=NC=CC(=C12)C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)C(F)(F)F

IUPAC Name

2-methoxy-4-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]phenol

InChIKey

YBRHGNCGFMRGSV-UHFFFAOYSA-N

INCHI

1S/C21H16F3N3O2/c1-12-19-16(13-3-8-17(28)18(11-13)29-2)9-10-25-20(19)27(26-12)15-6-4-14(5-7-15)21(22,23)24/h3-11,28H,1-2H3

Isómeros SMILES

CC1=NN(C2=NC=CC(=C12)C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)C(F)(F)F

Peso molecular

399.37

Reaxy-Rn

34168915

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34168915&ln=

Objetivos asociados (no humanos)

Saccharomyces cerevisiae (19171 Activities)

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

Influenza B virus (2113 Activities)

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

Influenza A virus (11224 Activities)

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

MDCK (10148 Activities)

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

Luciferin 4-monooxygenase (66902 Activities)

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

Influenza A virus H3N2 (588 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 399.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 399.119 Da
• Monoisotopic Mass: 399.119 Da
• Topological Polar Surface Area: 60.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 556.000
• 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