TAM-IN-2 - ≥99% , CAS No.2135642-56-5

CAS: 2135642-56-5 Cat. No.: T646967 Fórmula: C₃₁H₂₇F₂N₇O₃ Peso molecular: 583.59 PubChem CID: 130447757

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

TAM-IN-2 is a TAM inhibitor extracted from patent US 20170275290 A1, pyrrolotriazine compound 0904.

Form:Solid

Specifications

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

TAM-IN-2 is a TAM inhibitor extracted from patent US 20170275290 A1, pyrrolotriazine compound 0904.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC(=O)N1CCC(CC1)C2=CC(=C3N2N=CN=C3N)C4=C(C=C(C=C4)NC(=O)C5=CC=CN(C5=O)C6=CC=C(C=C6)F)F

IUPAC Name

N-[4-[7-(1-acetylpiperidin-4-yl)-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

InChIKey

PLCVJNJRUVNDEY-UHFFFAOYSA-N

INCHI

1S/C31H27F2N7O3/c1-18(41)38-13-10-19(11-14-38)27-16-25(28-29(34)35-17-36-40(27)28)23-9-6-21(15-26(23)33)37-30(42)24-3-2-12-39(31(24)43)22-7-4-20(32)5-8-22/h2-9,12,15-17,19H,10-11,13-14H2,1H3,(H,37,42)(H2,34,35,36)

PubChem CID

130447757

Peso molecular

583.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Phenylpyrroles Pyrrolo[2,1-f][1,2,4]triazines Nicotinamides N-acylpiperidines Pyridinones Fluorobenzenes Dihydropyridines Imidolactams Aryl fluorides 1,2,4-triazines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - 3-phenylpyrrole - Pyrrolo[2,1-f][1,2,4]triazine - Pyridine carboxylic acid or derivatives - Nicotinamide - N-acyl-piperidine - Pyridinone - Halobenzene - Fluorobenzene - Dihydropyridine - 1,2,4-triazine - Imidolactam - Triazine - Substituted pyrrole - Pyridine - Piperidine - Hydropyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Acetamide - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 5 mg/mL (8.57 mM; Need ultrasonic)
• Peso molecular: 583.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 583.214 Da
• Monoisotopic Mass: 583.214 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1120.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2135642-56-5, the molecular formula is C31H27F2N7O3, and the molecular weight is 583.59 g/mol. InChIKey PLCVJNJRUVNDEY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.