Ivarmacitinib sulfateProduct ingredient for Ivarmacitinib
- Name
- Ivarmacitinib sulfate
- Drug Entry
- Ivarmacitinib
Ivarmacitinib (SHR0302) is a selective inhibitor of Janus kinase 1 (JAK1) under investigation for the treatment of various immuno-inflammatory conditions. While ivarmactinib has yet to receive marketing authorization, as of February 2022 clinical trials are ongoing or completed evaluating its use in atopic dermatitis,11,14,16 ankylosing spondylitis,7 rheumatoid arthritis,8 psoriatic arthritis,9 graft-versus-host disease,2,10 vitiligo,12 ulcerative colitis,13 alopecia areata,15 and primary membranous nephropathy.17
- Accession Number
- DBSALT003216
- Structure
Structure for Ivarmacitinib sulfate (DBSALT003216)
- Synonyms
- SHR-0302 sulfate / SHR0302 sulfate
- UNII
- CN7B3Z5G04
- CAS Number
- 1639419-51-4
- Weight
- Average: 512.56
Monoisotopic: 512.126022873 - Chemical Formula
- C18H24N8O6S2
- InChI Key
- XVVWQCLRGHYWPI-OOWXMNGOSA-N
- InChI
- InChI=1S/C18H22N8O2S.H2O4S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17;1-5(2,3)4/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27);(H2,1,2,3,4)/t10-,11+,12+;
- IUPAC Name
- (3aR,5S,6aS)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]-octahydrocyclopenta[c]pyrrole-2-carboxamide; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@@]12C[C@H](C[C@]1([H])CN(C2)C(=O)NC1=NC(OC)=NS1)N(C)C1=NC=NC2=C1C=CN2
- External Links
- ChemSpider
- 88298508
- Predicted Properties
Property Value Source Water Solubility 0.0228 mg/mL ALOGPS logP 1.96 ALOGPS logP 1.82 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 6.91 Chemaxon pKa (Strongest Basic) 6.27 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 112.16 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 111.49 m3·mol-1 Chemaxon Polarizability 42.47 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon