6-amino-3-metil-1,4-difenil-1,4-dihidropirano[2,3-c]pirazol-5-carbonitrilo - ≥95% , CAS No.53316-57-7

CAS: 53316-57-7 Cat. No.: A697398 Peso molecular: 328.37 Número EC: 158-043-7
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Store at 2-8°C,Protected from light,Argon charged,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
A697398-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
29,90US$
250mg
A697398-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
99,90US$
1g
A697398-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
305,90US$
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Protected from light, Argon charged, Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3)C4=CC=CC=C4
IUPAC Name6-amino-3-methyl-1,4-diphenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
InChIKeyPRYBIJAJECYWEP-UHFFFAOYSA-N
INCHI1S/C20H16N4O/c1-13-17-18(14-8-4-2-5-9-14)16(12-21)19(22)25-20(17)24(23-13)15-10-6-3-7-11-15/h2-11,18H,22H2,1H3
Isómeros SMILES CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3)C4=CC=CC=C4
CAS alternativo 53316-57-7
Número NSC 298889
Peso molecular 328.37

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Benzene and substituted derivatives  Heteroaromatic compounds  Ketene acetals  Oxacyclic compounds  Nitriles  Azacyclic compounds  Hydrocarbon derivatives  Amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketene acetal or derivatives - Oxacycle - Azacycle - Nitrile - Carbonitrile - Amine - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Pseudomonas aeruginosa (123386 Activities)
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Staphylococcus aureus (210822 Activities)
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Escherichia coli (133304 Activities)
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Bacillus subtilis (32866 Activities)
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Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dnaB Replicative DNA helicase (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
recA Protein RecA (2211 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular328.400 g/mol
XLogP34.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass328.132 Da
Monoisotopic Mass328.132 Da
Topological Polar Surface Area76.900 Ų
Heavy Atom Count25
Formal Charge0
Complexity567.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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