Methyl streptonigrin , CAS No.3398-48-9

CAS: 3398-48-9 Cat. No.: M667861 Peso molecular: 520.5 PubChem CID: 18834
Disponible para pedir
Synonyms
Methyl streptonigrin | STREPTONIGRIN METHYL ESTER | NSC45384 | NSC-45384 | MLS000766273 | SMR000528866 | 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
M667861-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
M667861-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Sinónimos
Methyl streptonigrin | STREPTONIGRIN METHYL ESTER | NSC45384 | NSC-45384 | MLS000766273 | SMR000528866 | 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5, 8-dihydro-6-methoxy-5, 8-dioxo-2-quinolinyl)-4-(2-hydroxy-3, 4-dimethoxyphenyl)-3-methyl-, methyl ester
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.1
Nombres e identificadores
Sonrisas canónicasCC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O
IUPAC Namemethyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate
InChIKeyHKZHTIOXLTVSKR-UHFFFAOYSA-N
INCHI1S/C26H24N4O8/c1-10-15(11-7-9-14(35-2)24(36-3)21(11)31)16(27)20(30-18(10)26(34)38-5)13-8-6-12-19(29-13)23(33)17(28)25(37-4)22(12)32/h6-9,31H,27-28H2,1-5H3
Isómeros SMILES CC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O
PubChem CID 18834
Peso molecular 520.5

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
ClasePyridines and derivatives
SubclassBipyridines and oligopyridines
Intermediate Tree Nodes Not available
Direct ParentBipyridines and oligopyridines
Alternative Parents Phenylpyridines  Quinoline quinones  Dimethoxybenzenes  Hydroquinolines  Methoxyphenols  Pyridinecarboxylic acids  Phenoxy compounds  Aryl ketones  Anisoles  1-hydroxy-4-unsubstituted benzenoids  Alkyl aryl ethers  Aminopyridines and derivatives  Methylpyridines  Methyl esters  Heteroaromatic compounds  Vinylogous esters  Vinylogous amides  Amino acids and derivatives  Monocarboxylic acids and derivatives  Enamines  Azacyclic compounds  Monoalkylamines  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-phenylpyridine - Quinoline quinone - Bipyridine - Methoxyphenol - Dihydroquinoline - O-dimethoxybenzene - Dimethoxybenzene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aminopyridine - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Vinylogous ester - Vinylogous amide - Ketone - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Enamine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (no humanos)
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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 molecular520.500 g/mol
XLogP32.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass520.159 Da
Monoisotopic Mass520.159 Da
Topological Polar Surface Area186.000 Ų
Heavy Atom Count38
Formal Charge0
Complexity960.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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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