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Fosifidancitinib

CAT: 0931-T38624-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T38624-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1237168-58-9
Target
JAK
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Stem Cells, JAK/STAT signaling, Chromatin/Epigenetic
Purity
0.9955
Bioactivity
Fosifidancitinib is a potent inhibitor of JAK 1 and JAK 3.
Smiles
C(OP(=O)(O)O)N1C=2C(OC1=O)=CC=C(NC3=NC(NC4=CC(OC)=C(F)C(C)=C4)=NC=C3C)C2
Molecular Formula
C21H21FN5O7P
Molecular Weight
505.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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