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Peficitinib

CAT: 0804-HY-19568-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-19568-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Peficitinib (ASP015K) is an orally active JAK inhibitor, with IC50s of 3.9, 5.0, 0.7 and 4.8 nM for JAK1, JAK2, JAK3 and Tyk2, respectively[1].
CAS Number
944118-01-8
Product Name Alternative
ASP015K; JNJ-54781532
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
JAK
Type
Reference compound
Related Pathways
Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Peficitinib.html
Purity
99.43
Solubility
DMSO : 58.33 mg/mL (ultrasonic)
Smiles
O[C@](C[C@@H]1C[C@H]2C3)(C2)C[C@@H]3[C@H]1NC4=C5C(NC=C5)=NC=C4C(N)=O
Molecular Formula
C18H22N4O2
Molecular Weight
326.39
Precautions
H302, H315, H319, H335
References & Citations
[1]Ito M, et al. A novel JAK inhibitor, peficitinib, demonstrates potent efficacy in a rat adjuvant-induced arthritis model. J Pharmacol Sci. 2017 Jan;133 (1) :25-33.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
JAK1; JAK2; JAK3; Tyk2

Chemical Information

Peficitinib

Peficitinib has been used in trials studying the treatment and basic science of Psoriasis, Pharmacodynamics, Drug Interactions, Colitis, Ulcerative, and RHEUMATOID ARTHRITIS, among others.

CAS Number944118-01-8
PubChem CID57928403
IUPAC Name4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Molecular FormulaC18H22N4O2
Molecular Weight326.4
XLogP1.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity525
SMILES
C1[C@@H]2CC3(C[C@@H](C2NC4=C5C=CNC5=NC=C4C(=O)N)CC1C3)O
InChI
InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?
InChIKey
DREIJXJRTLTGJC-JQCLMNFQSA-N
Chemical Structure
2D Structure
2D structure of Peficitinib
CAS: 944118-01-8
CID: 57928403
Formula: C18H22N4O2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass326.17427596
Monoisotopic Mass326.17427596
Topological Polar Surface Area104 Ų
Heavy Atom Count24
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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