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Ruxolitinib (INCB018424)

CAT: 0607-A3012-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A3012-5Size:5 mg
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Description
JAK inhibitor
CAS Number
941678-49-5
Product Name Alternative
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Sequence
Ruxolitinib, INCB018424, INCB-018424
Field of Research
Chromatin Epigenetics JAK JAK STAT Signaling JAK
Purity
0.9979
Form
A solid
Solubility
insoluble in H2O; ≥15.32 mg/mL in DMSO; ≥17.53 mg/mL in EtOH
Smiles
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
Molecular Formula
C17H18N6
Molecular Weight
306.37
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ruxolitinib

Ruxolitinib is a pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt 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 is a nitrile, a member of pyrazoles and a pyrrolopyrimidine.

CAS Number941678-49-5
PubChem CID25126798
IUPAC Name(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Molecular FormulaC17H18N6
Molecular Weight306.4
XLogP2.1
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity453
SMILES
C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI
InChI=1S/C17H18N6/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/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
InChIKey
HFNKQEVNSGCOJV-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Ruxolitinib
CAS: 941678-49-5
CID: 25126798
Formula: C17H18N6
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.15929460
Monoisotopic Mass306.15929460
Topological Polar Surface Area83.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS386087-01INCB018424 (Ruxolitinib)
MBS575101Ruxolitinib (INCB018424)
MBS132350-01INCB018424(Ruxolitinib)
C08951-1gS-Ruxolitinib (INCB018424)
A11041-200INCB018424 (Ruxolitinib) 200mg
A11041-50INCB018424 (Ruxolitinib) 50mg
A11041-500INCB018424 (Ruxolitinib) 500mg
A11041-10mM-DINCB018424 (Ruxolitinib) 10mM * 1mL in DMSO
A11041-100INCB018424 100mg
A11041-25INCB018424 25mg

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