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JAK3/BTK-IN-3

CAT: 0013-GTR19186376-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186376-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JAK3/BTK-IN-3 is a potent dual inhibitor of JAK3 and BTK kinases, targets relevant in autoimmune and inflammatory disease research. Its synergistic inhibition of these pathways makes it a valuable chemical probe for in vitro and in vivo studies investigating conditions like rheumatoid arthritis and B-cell malignancies.
CAS Number
2674036-98-5
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
N (C1=C2C (=CNC2=NC (NC3=CN (C) N=C3) =N1) C4CC4) [C@H]5CN (C (C=C) =O) [C@@H] (C) CC5
Molecular Formula
C22H28N8O
Molecular Weight
420.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jak3/btk-IN-3
CAS Number2674036-98-5
PubChem CID156807321
IUPAC Name1-[(2S,5R)-5-[[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one
Molecular FormulaC22H28N8O
Molecular Weight420.5
XLogP3.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity672
SMILES
C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC(=NC3=C2C(=CN3)C4CC4)NC5=CN(N=C5)C
InChI
InChI=1S/C22H28N8O/c1-4-18(31)30-12-15(8-5-13(30)2)25-21-19-17(14-6-7-14)10-23-20(19)27-22(28-21)26-16-9-24-29(3)11-16/h4,9-11,13-15H,1,5-8,12H2,2-3H3,(H3,23,25,26,27,28)/t13-,15+/m0/s1
InChIKey
RBBKSKAGLMNDCU-DZGCQCFKSA-N
Chemical Structure
2D Structure
2D structure of Jak3/btk-IN-3
CAS: 2674036-98-5
CID: 156807321
Formula: C22H28N8O
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass420.23860755
Monoisotopic Mass420.23860755
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity672
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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