RU-302 - Moligand™,≥98% , CAS No.1182129-77-6

CAS: 1182129-77-6 Cat. No.: R646585 Molecular Weight: 475.53 PubChem CID: 34829729

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)phenyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

RU-302 is a pan TAM inhibitor that blocks the interface between the TAM Ig1 ectodomain and the Gas6 Lg domain. RU-302 effectively blocks Gas6-inducible Axl receptor activation with a low micromolar IC 50 in cell assays, and suppresses lung cancer tumor growth

Form:Solid

IC50& Target:TAM, Axl

Specifications

Synonyms

(2-(((3, 5-Dimethylisoxazol-4-yl)methyl)thio)phenyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

RU-302 is a pan TAM inhibitor that blocks the interface between the TAM Ig1 ectodomain and the Gas6 Lg domain. RU-302 effectively blocks Gas6-inducible Axl receptor activation with a low micromolar IC 50 in cell assays, and suppresses lung cancer tumor gr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
• IUPAC Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• InChIKey: IZHRNXCFYZERFF-UHFFFAOYSA-N
• INCHI: 1S/C24H24F3N3O2S/c1-16-21(17(2)32-28-16)15-33-22-9-4-3-8-20(22)23(31)30-12-10-29(11-13-30)19-7-5-6-18(14-19)24(25,26)27/h3-9,14H,10-13,15H2,1-2H3
• Isomeric SMILES: CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
• PubChem CID: 34829729
• MeSH Entry Terms: RU-302
• Molecular Weight: 475.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Trifluoromethylbenzenes O-sulfanylbenzoic acids and derivatives Benzamides Thiophenol ethers Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - O-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl thioether - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Isoxazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Thioether - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Alkyl fluoride - Organosulfur compound - Alkyl halide - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (210.29 mM; Need ultrasonic)
• Molecular Weight: 475.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 475.154 Da
• Monoisotopic Mass: 475.154 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 659.000
• 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