RU-301 - 10mM in DMSO , CAS No.1110873-99-8

CAS: 1110873-99-8 Cat. No.: R420616 Peso molecular: 480.46 Número EC: 996-278-4 PubChem CID: 40135492

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

RU-301 RU-301 is a pan- TAM receptor (Axl, Tyro3 and Mertk) inhibitor that blocks the Axl receptor dimerization site with Kd of 12 μM and IC50 of 10 μM, respectively.

Targets

Axl (Cell-free assay); Axl (Cell-free assay) 10 μM; 12 μM(Kd)

Specifications

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

RU-301 is a pan-TAM receptor (Axl, Tyro3 and Mertk) inhibitor that blocks the Axl receptor dimerization site with Kd of 12 μM and IC50 of 10 μM, respectively.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Propiedades del producto

• ALogP: 4.272
• Recuento HBD: 2
• Enlace rotable: 10

Nombres e identificadores

• Sonrisas canónicas: CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
• IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide
• InChIKey: BPHPWPNHNGXNPR-UHFFFAOYSA-N
• INCHI: 1S/C21H19F3N4O4S/c1-13-10-15(32-27-13)12-33-19-5-3-2-4-16(19)20(29)26-9-8-25-17-7-6-14(21(22,23)24)11-18(17)28(30)31/h2-7,10-11,25H,8-9,12H2,1H3,(H,26,29)
• Isómeros SMILES: CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
• PubChem CID: 40135492
• Peso molecular: 480.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Sulfanylbenzoic acids and derivatives
          • Level6 O-sulfanylbenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Sulfanylbenzoic acids and derivatives
• Direct Parent: O-sulfanylbenzoic acids and derivatives
• Alternative Parents: Trifluoromethylbenzenes Benzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Thiophenol ethers Phenylalkylamines Secondary alkylarylamines Alkylarylthioethers Vinylogous thioesters Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organofluorides Organic salts Hydrocarbon derivatives Organooxygen compounds Organic oxides Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Aniline or substituted anilines - Phenylalkylamine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Vinylogous thioester - Azole - Heteroaromatic compound - Isoxazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organohalogen compound - Amine - Organic oxygen compound - Alkyl halide - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
• 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

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 96
• DMSO (mM) Solubilidad máxima: 199.80851683803
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 480.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 480.108 Da
• Monoisotopic Mass: 480.108 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 666.000
• 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