ML251 - ≥98% , CAS No.1486482-16-9

CAS: 1486482-16-9 Cat. No.: M413036 Formula: C₁₇H₁₃Cl₂N₃O₄S Peso molecolare: 426.27

QUALITÀ & PUREZZA ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Information

ML251 is a potent inhibitor of T. brucei and T. cruzi phosphofructokinase.

Specifiche

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

ML251 is a potent inhibitor of T. brucei and T. cruzi phosphofructokinase.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508810711

Sorrisi canonici

C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)NC3=NOC=C3

IUPAC Name

2-(3,4-dichlorophenyl)-N-[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide

InChIKey

AIDVIFPYWYKRCE-UHFFFAOYSA-N

INCHI

1S/C17H13Cl2N3O4S/c18-14-6-1-11(9-15(14)19)10-17(23)20-12-2-4-13(5-3-12)27(24,25)22-16-7-8-26-21-16/h1-9H,10H2,(H,20,23)(H,21,22)

Isomeri SMILES

C1=CC(=CC=C1NC(=O)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)NC3=NOC=C3

Peso molecolare

426.27

Reaxy-Rn

26514367

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26514367&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Phenylacetamides Anilides Benzenesulfonyl compounds Dichlorobenzenes N-arylamides Aryl chlorides Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Phenylacetamide - Anilide - Benzenesulfonyl group - 1,2-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Imidolactam - Aryl chloride - Organosulfonic acid amide - Heteroaromatic compound - Azole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked 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)

MRC5 (9203 Activities)

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

Obiettivi associati (non umani)

Trypanosoma brucei brucei (13300 Activities)

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

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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

Plasma (328 Activities)

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

Liver microsome (341 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 426.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 425 Da
• Monoisotopic Mass: 425 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 608.000
• 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