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Baricitinib phosphate

CAT: 0013-GTR19174998-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174998-03Size:10 mg
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Description
Baricitinib phosphate is an orally active, selective inhibitor of JAK1 and JAK2 kinases. It is widely used in research to investigate inflammatory and autoimmune pathways, with applications in both in vitro cellular assays and in vivo disease models.
CAS Number
1187595-84-1
Product Name Alternative
Baricitinib, Baricitinib Phosphate, INCB-028050, INCB028050 Phosphate, INCB-028050 phosphate, INCB 028050, INCB 028050 Phosphate, JAK3, JAK2, JAK1, JAK, LY-3009104, LY3009104 Phosphate, LY-3009104 phosphate, LY 3009104, LY 3009104 Phosphate, Tyk2, Tyrosine Kinases, TyrosineKinases
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.87% (May vary between batches)
Solubility
DMSO:50 mg/mL (106.52 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.26 mM)
Smiles
OP (O) (O) =O.CCS (=O) (=O) N1CC (CC#N) (C1) n1cc (cn1) -c1ncnc2[nH]ccc12
Molecular Formula
C16H20N7O6PS
Molecular Weight
469.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Baricitinib phosphate
CAS Number1187595-84-1
PubChem CID44231848
IUPAC Name2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;phosphoric acid
Molecular FormulaC16H20N7O6PS
Molecular Weight469.4
Topological Polar Surface Area207
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity728
SMILES
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
InChI
InChI=1S/C16H17N7O2S.H3O4P/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14;1-5(2,3)4/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20);(H3,1,2,3,4)
InChIKey
FBPOWTFFUBBKBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Baricitinib phosphate
CAS: 1187595-84-1
CID: 44231848
Formula: C16H20N7O6PS
MW: 469.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass469.09333955
Monoisotopic Mass469.09333955
Topological Polar Surface Area207 Ų
Heavy Atom Count31
Formal Charge0
Complexity728
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-15315A-01Baricitinib (phosphate)
442119-01Baricitinib Phosphate
M10643-01Baricitinib (Phosphate)
A15014-100Baricitinib phosphate 100mg
A15014-5Baricitinib phosphate 5mg
A15014-50Baricitinib phosphate 50mg
A15014-25Baricitinib phosphate 25mg
HY-15315AR-01Baricitinib (phosphate) (Standard)
A15014-500Baricitinib phosphate 500mg
A15014-10Baricitinib phosphate 10mg

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