iKIX1 - ≥98% , CAS No.656222-54-7

CAS: 656222-54-7 Cat. No.: I412763 Fórmula: C₁₀H₈Cl₂N₄OS Peso molecular: 303.17 Número EC: 110-694-8

CALIDAD & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

iKIX1 is an Pdr1-dependent gene activation. It re-sensitizes drug-resistant C. glabrata to azole antifungals in vitro and in animal models for disseminated and urinary tract C. glabrata infection.

Especificaciones

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

iKIX1 is an antifungal agent and re-sensitizes drug-resistant C. glabrata to azole antifungals. iKIX1 inhibits the interaction between the KIX domain of the mediator subunit CgGal11A and the activation domain of CgPdr1 with IC50 and Ki of 190.2 μM and 18

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528768688

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528768688

Sonrisas canónicas

C1=CC(=C(C=C1NC(=S)NNC(=O)CC#N)Cl)Cl

IUPAC Name

1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea

InChIKey

XKQJVBSDCOCZFV-UHFFFAOYSA-N

INCHI

1S/C10H8Cl2N4OS/c11-7-2-1-6(5-8(7)12)14-10(18)16-15-9(17)3-4-13/h1-2,5H,3H2,(H,15,17)(H2,14,16,18)

Isómeros SMILES

C1=CC(=C(C=C1NC(=S)NNC(=O)CC#N)Cl)Cl

Peso molecular

303.17

Reaxy-Rn

31716884

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31716884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Thiosemicarbazides Carboxylic acid hydrazides Nitriles Organosulfur compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl chloride - Aryl halide - Thiosemicarbazide - Carboxylic acid hydrazide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 303.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 301.98 Da
• Monoisotopic Mass: 301.98 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 370.000
• 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