Tenalisib R Enantiomer - ≥98% , CAS No.1639417-54-1

CAS: 1639417-54-1 Cat. No.: T650565 Peso molecular: 415.42 PubChem CID: 117729511

GRADE & PURITY ≥98%

Synonyms

1639417-54-1 | HY-112172 | MS-27201 | SCHEMBL16279824 | DTXSID001138191 | AKOS040740197 | RP6530 R Enantiomer | 3-(3-Fluorophenyl)-2-[(1R)-1-(9H-purin-6-ylamino)propyl]-4H-1-benzopyran-4-one | BT166452 | Tenalisib R Enantiomer | 3-(3-fluorophenyl)-2-[(1R)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Tenalisib R Enantiomer (RP6530 R Enantiomer) is an R enantiomer of Tenalisib. Tenalisib is a potent and selective PI3Kδ and PI3Kγ inhibitor with IC 50 values of 25 and 33 nM, respectively.

In Vitro

Tenalisib, a dual PI3K δ/γ inhibitor, potentiates Ruxolitinib activity in the JAK2-V617F mutant erythroleukemia cell lines. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

1639417-54-1 | HY-112172 | MS-27201 | SCHEMBL16279824 | DTXSID001138191 | AKOS040740197 | RP6530 R Enantiomer | 3-(3-Fluorophenyl)-2-[(1R)-1-(9H-purin-6-ylamino)propyl]-4H-1-benzopyran-4-one | BT166452 | Tenalisib R Enantiomer | 3-(3-fluorophenyl)-2-[(1R)

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Tenalisib R Enantiomer (RP6530 R Enantiomer) is an R enantiomer of Tenalisib. Tenalisib is a potent and selective PI3Kδ and PI3Kγ inhibitor with IC 50 values of 25 and 33 nM, respectively.

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%

Nombres e identificadores

• Sonrisas canónicas: CCC(C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
• IUPAC Name: 3-(3-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)propyl]chromen-4-one
• InChIKey: HDXDQPRPFRKGKZ-MRXNPFEDSA-N
• INCHI: 1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m1/s1
• Isómeros SMILES: CC[C@H](C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
• PubChem CID: 117729511
• Peso molecular: 415.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Isoflavonoids
      • Subclass Isoflav-2-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: Isoflav-2-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavones
• Alternative Parents: Chromones Imidazopyrimidines Secondary alkylarylamines Fluorobenzenes Dihydropyranones Pyrimidines and pyrimidine derivatives Imidolactams Alpha-branched alpha,beta-unsaturated ketones Imidazolines Imidazoles Heteroaromatic compounds Enones Acryloyl compounds Ketones Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Formamidines Fluoroalkenes Dialkylamines Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavone - Chromone - 1-benzopyran - Benzopyran - Imidazopyrimidine - Secondary aliphatic/aromatic amine - Pyranone - Halobenzene - Fluorobenzene - Dihydropyranone - Imidolactam - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyrimidine - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated ketone - 2-imidazoline - Imidazole - Enone - Azole - Acryloyl-group - Ketone - Formamidine - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Secondary amine - Secondary aliphatic amine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
• 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: DMSO : 100 mg/mL (240.72 mM; Need ultrasonic)
• Peso molecular: 415.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 415.144 Da
• Monoisotopic Mass: 415.144 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 703.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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