S-Ruxolitinib (INCB018424)
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S-Ruxolitinib (INCB018424)
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CAS No:
941685-37-6
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Formula:
C17H18N6
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Chemical Name:
S-Ruxolitinib (INCB018424)
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Synonyms:
S-Ruxolitinib (INCB018424);S-Ruxolitinib;INCB 18424;1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (βS)-;Ruxolitinib (S enantioMer);(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)-1H-pyrazol-1-yl]propanenitrile;RUXOLITINIB S ENANTIOMER;INCB18424;(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile (ent-Ruxolitinib)
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CAS No:
Description
Ruxolitinib S enantiomer is the S-enantiomer of Ruxolitinib. Ruxolitinib is the first potent, selective JAK1/2 inhibitor to enter the clinic with IC50 of 3.3 nM/2.8 nM in cell-free assays.
Characteristics
83.2
1.69
1.40±0.1 g/cm3(Predicted)
138-143oC
592.6±50.0 °C at 760 mmHg
312.2±30.1 °C
1.747
11.63±0.50(Predicted)
-20°C Freezer
S-Ruxolitinib (INCB018424) Use and Manufacturing
(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile is a newly developed JAK2inhibitor therapy aimed to improve MPN-associated splenomegaly and systemic symptoms.
Computed Properties
Molecular Weight:306.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:306.15929460
Monoisotopic Mass:306.15929460
Topological Polar Surface Area:83.2
Heavy Atom Count:23
Complexity:453
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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