deuruxolitinib   Click here for help

GtoPdb Ligand ID: 11410

Synonyms: CTP-543 | CTP543 | D8-ruxolitinib
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Deuruxolitinib (CTP-543) is a deuterium-modified analogue of the JAK inhibitor ruxolitinib. It is an oral inhibitor that inhibits JAK1/2. The chemical structure, and its use in hair loss disorders are claimed in patent WO2017192905A1 [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 83.18
Molecular weight 306.16
XLogP 2.7
No. Lipinski's rules broken 0
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Canonical SMILES N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2
Isomeric SMILES N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2
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/i1D2,2D2,3D2,4D2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11622 deuruxolitinib
Synonyms Click here for help
CTP-543 | CTP543 | D8-ruxolitinib
Database Links Click here for help
CAS Registry No. 1513883-39-0 (source: WHO INN record)
GtoPdb PubChem SID 440816779
PubChem CID 72704611
Search Google for chemical match using the InChIKey HFNKQEVNSGCOJV-FBXGHSCESA-N
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UniChem Compound Search for chemical match using the InChIKey HFNKQEVNSGCOJV-FBXGHSCESA-N
UniChem Connectivity Search for chemical match using the InChIKey HFNKQEVNSGCOJV-FBXGHSCESA-N