Acoziborole - ≥99% , Cleavage and polyadenylation specificity factor subunit inhibitor, CAS No.1266084-51-8, Cleavage and polyadenylation specificity factor subunit inhibitor

CAS: 1266084-51-8 Cat. No.: A651834 Formule: C₁₇H₁₄BF₄NO₃ Poids moléculaire: 367.10 PubChem CID: 44178354

GRADE & PURITY ≥99%

Synonyms

Acoziborole | A937430 | SCTX-7158 | Benzamide, N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)- | AC-36374 | 2IOR2OO3GW | 4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-2-trifluoromethy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Acoziborole (SCYX-7158) is an effective, safe and orally active antiprotozoal agent for the research of human african trypanosomiasis (HAT). In the T. b. brucei S427 strain, the MIC value for SCYX-7158 is 0.6 µg/mL.

Specifications

Synonymes

Acoziborole | A937430 | SCTX-7158 | Benzamide, N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)- | AC-36374 | 2IOR2OO3GW | 4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-2-trifluoromethy

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Acoziborole (SCYX-7158) is an effective, safe and orally active antiprotozoal agent for the research of human african trypanosomiasis ( HAT ). In the T. b. brucei S427 strain, the MIC value for SCYX-7158 is 0.6 µg/mL.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Cleavage and polyadenylation specificity factor subunit inhibitor

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528763256

Sourires canoniques

B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)C(F)(F)F)C(O1)(C)C)O

IUPAC Name

4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

InChIKey

PTYGDEXEGLDNAZ-UHFFFAOYSA-N

INCHI

1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)

Isomères SMILES

B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)C(F)(F)F)C(O1)(C)C)O

PubChem CID

44178354

Poids moléculaire

367.10

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Oxaborole derivatives Boronic acid esters Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organic oxides Organofluorides Organometalloid compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - 1,2-oxaborole derivative - Boronic acid ester - Secondary carboxylic acid amide - Boronic acid derivative - Carboxamide group - Organic metalloid salt - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Cibles associées (non humaines)

Leishmania infantum (5912 Activities)

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

Trypanosoma brucei brucei (13300 Activities)

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

Leishmania donovani (89745 Activities)

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

Mus musculus (284745 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 125 mg/mL (340.51 mM)
• Poids moléculaire: 367.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 367.1 Da
• Monoisotopic Mass: 367.1 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 545.000
• 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

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