3-Methoxybenzamide - 10mM in DMSO , CAS No.5813-86-5

CAS: 5813-86-5 Cat. No.: M424876 Formula: CH₃OC₆H₄CONH₂ Peso molecolare: 151.16 Numero EC: 227-379-7

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

4-10-00-00326 (Beilstein Handbook Reference) | bmse000775 | NSC 209527 | AKOS005207036 | DB03073 | DTXSID00206848 | m-Anisamide | SCHEMBL283787 | VKPLPDIMEREJJF-UHFFFAOYSA- | NSC28589 | NSC-28589 | SMR000471856 | Benzamide, 3-methoxy- | MLS001066418 | 3-M

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

4-10-00-00326 (Beilstein Handbook Reference) | bmse000775 | NSC 209527 | AKOS005207036 | DB03073 | DTXSID00206848 | m-Anisamide | SCHEMBL283787 | VKPLPDIMEREJJF-UHFFFAOYSA- | NSC28589 | NSC-28589 | SMR000471856 | Benzamide, 3-methoxy- | MLS001066418 | 3-M

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

528759105

Sorrisi canonici

COC1=CC=CC(=C1)C(=O)N

IUPAC Name

3-methoxybenzamide

InChIKey

VKPLPDIMEREJJF-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

Isomeri SMILES

COC1=CC=CC(=C1)C(=O)N

WGK Germania

3

Peso molecolare

151.16

Reaxy-Rn

2206857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206857&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Obiettivi associati (umani)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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Obiettivi associati (non umani)

ftsZ Cell division protein ftsZ (97 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Streptococcus pyogenes (16140 Activities)

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Bacillus subtilis (32866 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 132.5-135.5\xa0°C(lit.)
• Peso molecolare: 151.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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