TG-89 - 10mM in DMSO , CAS No.936091-56-4

CAS: 936091-56-4 Cat. No.: T426994 Formule: C₂₆H₃₄N₆O₃S Poids moléculaire: 510.65 PubChem CID: 16723044

GRADE & PURITY 10mM in DMSO

Synonyms

936091-56-4|TG-89|N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide|N-tert-Butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide|Benzenesulfonamide, N

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

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

Targets

JAK2 (Cell-free assay) 11.2 μM

Specifications

Synonymes

936091-56-4 | TG-89 | N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide | N-tert-Butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide | Benzenesulfonamide, N

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

• ALogP: 4.301
• Nombre de HBD: 3
• Liaison rotative: 9

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4
• PubChem CID: 16723044
• Poids moléculaire: 510.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 10
• DMSO (mM) Solubilité maximale: 19.5828845588955
• Eau (mg/mL) Solubilité maximale: ˂1
• Poids moléculaire: 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

Foire aux questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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.