TG-89 - ≥98% , CAS No.936091-56-4

CAS: 936091-56-4 Cat. No.: T412356 Fórmula: C₂₆H₃₄N₆O₃S Peso molecular: 510.65 PubChem CID: 16723044

GRADE & PURITY ≥98%

Synonyms

BBL103534 | Benzenesulfonamide,N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]- | AKOS005259273 | N-(tert-Butyl)-3-({5-methyl-2-[3-(4-morpholinylmethyl)anilino]-4-pyrimidinyl}amino)benzenesulfonamide | NCGC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

TG-89 is an inhibitor ofJAK2with IC50 of 11.2 μM.

Targets

JAK2 (Cell-free assay) 11.2 μM

Specifications

Sinónimos

BBL103534 | Benzenesulfonamide,N-(1,1-dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]- | AKOS005259273 | N-(tert-Butyl)-3-({5-methyl-2-[3-(4-morpholinylmethyl)anilino]-4-pyrimidinyl}amino)benzenesulfonamide | NCGC

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

TG-89 is an inhibitor of JAK2 with IC50 of 11.2 μM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Propiedades del producto

• ALogP: 4.301
• Recuento HBD: 3
• Enlace rotable: 9

Nombres e identificadores

• Sonrisas canónicas: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4
• IUPAC Name: N-tert-butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
• InChIKey: OOSKXASFJFSOBK-UHFFFAOYSA-N
• INCHI: 1S/C26H34N6O3S/c1-19-17-27-25(29-21-8-5-7-20(15-21)18-32-11-13-35-14-12-32)30-24(19)28-22-9-6-10-23(16-22)36(33,34)31-26(2,3)4/h5-10,15-17,31H,11-14,18H2,1-4H3,(H2,27,28,29,30)
• Isómeros SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4
• PubChem CID: 16723044
• Peso molecular: 510.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Phenylmethylamines Aniline and substituted anilines Benzylamines Aminopyrimidines and derivatives Aralkylamines Organosulfonamides Morpholines Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Morpholine - Oxazinane - Pyrimidine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

• Solubilidad: Solubility (25°C) In vitro DMSO: 10 mg/mL (19.58 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
• DMSO (mg/ml) Solubilidad máxima: 10
• DMSO (mM) Solubilidad máxima: 19.5828845588955
• Agua (mg/ml) Solubilidad máxima: ˂1
• Peso molecular: 510.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 510.241 Da
• Monoisotopic Mass: 510.241 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 780.000
• 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

Preguntas frecuentes

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

The CAS Number is 936091-56-4, the molecular formula is C26H34N6O3S, and the molecular weight is 510.65 g/mol. InChIKey OOSKXASFJFSOBK-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.

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.