IACS-8968 - ≥98% , CAS No.2144425-14-7

CAS: 2144425-14-7 Cat. No.: I650212 Fórmula: C₁₇H₁₈F₃N₅O₂ Peso molecular: 381.35 PubChem CID: 132060309

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

IACS-8968 (IDO/TDO Inhibitor) is a dual IDO and TDO inhibitor, with pIC 50 s of 6.43 for IDO and <5 for TDO, respectively.

Form:Solid

IC50& Target:pIC50: 6.43 (IDO), <5 (TDO)

Specifications

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

IACS-8968 (IDO/TDO Inhibitor) is a dual IDO and TDO inhibitor, with pIC 50 s of 6.43 for IDO and <5 for TDO, respectively.

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.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC1(CN(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C

IUPAC Name

6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

InChIKey

UBMTZODMRPHSBC-UHFFFAOYSA-N

INCHI

1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)

PubChem CID

132060309

Peso molecular

381.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Hydantoins Azaspirodecane derivatives Piperidinecarboxamides Polyhalopyridines Dialkylarylamines Methylpyridines Dihydropyridines Aminopyridines and derivatives 2-halopyridines N-acyl amines Heteroaromatic compounds Dicarboximides Azoles Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Formamidines Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Hydantoin - Azaspirodecane - Piperidinecarboxamide - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Methylpyridine - Dihydropyridine - Aminopyridine - Pyridine - Piperidine - N-acyl-amine - Imidazolidinone - Heteroaromatic compound - Imidazolidine - Dicarboximide - Azole - Tertiary amine - Carbonic acid derivative - Formamidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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 : 50 mg/mL (131.11 mM; Need ultrasonic)
• Peso molecular: 381.350 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 381.141 Da
• Monoisotopic Mass: 381.141 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥98% 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 2144425-14-7, the molecular formula is C17H18F3N5O2, and the molecular weight is 381.35 g/mol. InChIKey UBMTZODMRPHSBC-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.