Research chemical
CAS Number: 1092939-15-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
25126798
Exact Mass
306.159295
InChIKey
HFNKQEVNSGCOJV-OAHLLOKOSA-N
IUPAC Name
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILES String
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Ruxolitinib is identified by CAS 1092939-15-5, with molecular formula C17H18N6, molecular weight 306.4, InChIKey HFNKQEVNSGCOJV-OAHLLOKOSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK1, Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK3, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
23
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
83.18 Ų
Computed LogP
3.47
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Ruxolitinib (CAS 1092939-15-5) is maintained as a commercial cas reference with formula C17H18N6, molecular weight 306. 40 g/mol, PubChem CID 25126798.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Tyrosine-protein kinase JAK2 (Homo sapiens) — 75 assays; Tyrosine-protein kinase JAK1 (Homo sapiens) — 50 assays; Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens) — 27 assays; Tyrosine-protein kinase JAK3 (Homo sapiens) — 37 assays; Protein deacetylase HDAC6 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Tyrosine-protein kinase JAK2
Homo sapiens · SINGLE PROTEIN · 75 qualifying assays · 51 documents · best pChEMBL 10.44
Experimental evidence source: ChEMBL
Tyrosine-protein kinase JAK1
Homo sapiens · SINGLE PROTEIN · 50 qualifying assays · 41 documents · best pChEMBL 10.05
Experimental evidence source: ChEMBL
Non-receptor tyrosine-protein kinase TYK2
Homo sapiens · SINGLE PROTEIN · 27 qualifying assays · 23 documents · best pChEMBL 9.4
Experimental evidence source: ChEMBL
Tyrosine-protein kinase JAK3
Homo sapiens · SINGLE PROTEIN · 37 qualifying assays · 34 documents · best pChEMBL 8.7
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.82
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.