Ruxolitinib phosphate salt - ≥98% , Tyrosine-protein kinase JAK2 inhibitor, CAS No.1092939-17-7, Tyrosine-protein kinase JAK2 inhibitor

CAS: 1092939-17-7 Cat. No.: R171967 Peso molecular: 404.4 Número EC: 641-390-8 PubChem CID: 25127112

GRADE & PURITY ≥98%

Synonyms

(R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrilephosphate | Jakavi (TN) | (3R)-3-cyclopentyl-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)propanenitrile Phosphate (1:1) | HY-50858 | Ruxolitinib phosphate | Ruxo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(R)-3-(4-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrilephosphate | Jakavi (TN) | (3R)-3-cyclopentyl-3-(4-(7h-pyrrolo(2, 3-d)pyrimidin-4-yl)pyrazol-1-yl)propanenitrile Phosphate (1:1) | HY-50858 | Ruxolitinib phosphate | Ruxo

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ruxortinib's phosphate. A potent and selective JAK1 / JAK2 inhibitor; it is biologically active when taken orally.

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.

Tipo de acción

INHIBITOR

Mecanismo de acción

Tyrosine-protein kinase JAK2 inhibitor

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769977
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769977
• Sonrisas canónicas: C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
• IUPAC Name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
• InChIKey: JFMWPOCYMYGEDM-XFULWGLBSA-N
• INCHI: 1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1
• Isómeros SMILES: C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
• PubChem CID: 25127112
• Peso molecular: 404.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Organic phosphoric acids and derivatives Pyrroles Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Organic phosphoric acid derivative - Pyrimidine - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
• External Descriptors: phosphate salt

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

Objetivos asociados (humanos)

JAK1 Tclin Tyrosine-protein kinase JAK1 (1 Activities)

Discover Target: JAK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

JAK2 Tclin Tyrosine-protein kinase JAK2 (1 Activities)

Discover Target: JAK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)

Discover Target: JAK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 40.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.04, Max Conc. mM: 10
• Sensibilidad: Moisture sensitive
• Peso molecular: 404.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 404.136 Da
• Monoisotopic Mass: 404.136 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 503.000
• 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: 2

XLogP3

Referencias

1. He Li, Peipei Meng, Yuhang Meng, Yige Yang, Wensheng Zheng, Hongdong Huang, Zhigang Zhao.  (2025)  Mechanism of ruxolitinib enhancing mitophagy against renal fibrosis via PINK1/Parkin pathway.  BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE,      [PMID:40645297] [10.1016/j.bbadis.2025.167978]