Jakafi
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
Molecular Identity
Jakafi
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
PubChem CID: 25127112
Ruxolitinib phosphate is a phosphate salt obtained by reaction ruxolitinib with one equivalent of phosphoric acid. Used for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis. It has a role as an antineoplastic agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It contains a ruxolitinib.
2D Structure
Properties
C17H21N6O4P
Molecular Formula
404.40
Molecular Weight
g/mol
404.1362
Exact Mass
Da
161
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
503
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)OIsomeric SMILES
SMILES: C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)OSynonyms(20)
Ruxolitinib phosphate1092939-17-7Jakafiruxolitinib monophosphateINCB018424 PHOSPHATEruxolitinib (as phosphate)INCB-018424 phosphateINCB-018424 Salt436LRU32H5(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphateINCB-18424 PHOSPHATECHEBI:669171H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-, phosphate (1:1)(3R)-3-cyclopentyl-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile phosphateRefChem:55991
Data from PubChem (NCBI)
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