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Ruxolitinib-[d4]

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General Information
Catalog: BLP-005995
Molecular Formula: C17H14D4N6
Molecular Weight: 310.39

Chemical Structure

Description	A deuterated ruxolitinib. Ruxolitinib is a janus-associated kinase inhibitor indicated to treat bone marrow cancer, specifically intermediate or high-risk myelofibrosis.
Synonyms	(3R)-3-[(3,3,4,4-D4)cyclopentyl]-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; (S)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile-D4
IUPAC Name	(3R)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-(3,3,4,4-tetradeuteriocyclopentyl)propanenitrile
Related CAS	941678-49-5 (unlabelled)
Canonical SMILES	C1CCC(C1)C(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/i1D2,2D2
InChI Key	HFNKQEVNSGCOJV-TZKNZHICSA-N
Purity	>98%