Products for Research Use Only
RegisterLogin

Fosifidancitinib

CAT: 0804-HY-109175Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-109175Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Fosifidancitinib is a potent and selective inhibitor of JAK kinases 1/3. Fociatinib is used in studies of allergies, asthma and autoimmune diseases[1].
CAS Number
1237168-58-9
UNSPSC
12352005
Hazard Statement
H319-H362-H413
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/fosifidancitinib.html
Solubility
10 mM in DMSO
Smiles
O=C1OC2=CC=C(NC3=NC(NC4=CC(C)=C(F)C(OC)=C4)=NC=C3C)C=C2N1COP(O)(O)=O
Molecular Formula
C21H21FN5O7P
Molecular Weight
505.39
Precautions
P260-P263-P264-P270-P273-P280-P305+P351+P338-P501
References & Citations
[1]Li, Hui; Heckrodt, Thilo J.; Chen, Yan; Mcmurtrie, Darren John; Taylor, Vanessa; Singh, Rajinder; Ding, Pingyu; Yen, Rose.Preparation of phenylaminopyrimidinylaminooxobenzooxazole derivatives for use as JAK kinase inhibitors. WO2012015972A1
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fosifidancitinib

Fosifidancitinib is a small molecule drug. The usage of the INN stem '-citinib' in the name indicates that Fosifidancitinib is a Janus kinase inhibitor. Fosifidancitinib has a monoisotopic molecular weight of 505.12 Da.

CAS Number1237168-58-9
PubChem CID58071385
IUPAC Name[5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-2-oxo-1,3-benzoxazol-3-yl]methyl dihydrogen phosphate
Molecular FormulaC21H21FN5O7P
Molecular Weight505.4
XLogP2.5
Topological Polar Surface Area155
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity793
SMILES
CC1=CC(=CC(=C1F)OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(=O)N4COP(=O)(O)O)C
InChI
InChI=1S/C21H21FN5O7P/c1-11-6-14(8-17(32-3)18(11)22)25-20-23-9-12(2)19(26-20)24-13-4-5-16-15(7-13)27(21(28)34-16)10-33-35(29,30)31/h4-9H,10H2,1-3H3,(H2,29,30,31)(H2,23,24,25,26)
InChIKey
JTUBTEKGIDQZMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fosifidancitinib
CAS: 1237168-58-9
CID: 58071385
Formula: C21H21FN5O7P
MW: 505.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.4
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass505.11626319
Monoisotopic Mass505.11626319
Topological Polar Surface Area155 Ų
Heavy Atom Count35
Formal Charge0
Complexity793
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3616758-01Fosifidancitinib

Popular Products