Kobe0065 - ≥98% , CAS No.436133-68-5

CAS: 436133-68-5 Cat. No.: K276196 Peso molecular: 449.79 Número EC: 809-378-9

GRADE & PURITY ≥98%

Synonyms

AS-16550 | EX-A370 | N-(3-chloro-4-methylphenyl)-2-(2,6-dinitro-4-(trifluoromethyl)phenyl)hydrazinecarbothioamide. | s8303 | AKOS025405248 | Kobe 0065; Kobe-0065 | AC-35924 | A899693 | SCHEMBL15443888 | 3-(3-chloro-4-methylphenyl)-1-{[2,6-dinitro-4-(trifl

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Shipped at 4°C. Store at +4°C short term (1-2 weeks). Store at -20°C long term. It is important to note that this is air sensitive and impurities can occur as a result of air oxidation. Store In the Dark. Store under desiccating conditions.

Specifications

Sinónimos

AS-16550 | EX-A370 | N-(3-chloro-4-methylphenyl)-2-(2, 6-dinitro-4-(trifluoromethyl)phenyl)hydrazinecarbothioamide. | s8303 | AKOS025405248 | Kobe 0065; Kobe-0065 | AC-35924 | A899693 | SCHEMBL15443888 | 3-(3-chloro-4-methylphenyl)-1-{[2, 6-dinitro-4-(trifl

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Kobe0065 is small molecule inhibitor of the H-Ras-c-Raf interaction. It competitively inhibits the binding of H-Ras•GTD to c-Raf1 RBD with an IC 50 of 46\xa0μM. Exhibits antiproliferative activity in xenografts of SW480 colon carcinoma cells carrying the

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762753
• Sonrisas canónicas: CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
• IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea
• InChIKey: KSJVAYBCXSURMQ-UHFFFAOYSA-N
• INCHI: 1S/C15H11ClF3N5O4S/c1-7-2-3-9(6-10(7)16)20-14(29)22-21-13-11(23(25)26)4-8(15(17,18)19)5-12(13)24(27)28/h2-6,21H,1H3,(H2,20,22,29)
• Isómeros SMILES: CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
• Peso molecular: 449.79
• Reaxy-Rn: 33420636
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33420636&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Toluenes Chlorobenzenes Aryl chlorides Thiosemicarbazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives Organosulfur compounds Alkyl fluorides Organic salts Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Thiosemicarbazide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organosulfur compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HRAS Tchem Transforming protein p21/H-Ras-1 (138 Activities)

Discover Target: HRAS

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

SW480 (6023 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 89 mg/mL (197.87 mM) Ethanol 13 mg/mL (28.9 mM) Insoluble in water
• Sensibilidad: air sensitive
• Peso molecular: 449.800 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 449.017 Da
• Monoisotopic Mass: 449.017 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 609.000
• 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