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JAK3/BTK-IN-1

CAT: 0013-GTR19184179-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184179-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JAK3/BTK-in-1 is a dual inhibitor targeting Janus kinase 3 (JAK3) and Bruton's tyrosine kinase (BTK) for research into autoimmune diseases and hematologic cancers. Its synergistic inhibition of the BTK/JAK3 pathway has been investigated in both cellular assays and preclinical in vivo models of immune dysregulation.
CAS Number
2674036-91-8
Product Name Alternative
BTK, JAK3/BTK IN 1, JAK3/BTKIN1, JAK-3/BTK-IN-1, JAK3/BTK-IN-1, JAK3
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
97.89% (May vary between batches)
Smiles
N (C1=C2C (=CNC2=NC (NC3=CN (CC) N=C3) =N1) C4=CC=CC=C4) [C@H]5CN (C (C=C) =O) CCC5
Molecular Formula
C25H28N8O
Molecular Weight
456.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jak3/btk-IN-1
CAS Number2674036-91-8
PubChem CID156807359
IUPAC Name1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
Molecular FormulaC25H28N8O
Molecular Weight456.5
XLogP3.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity700
SMILES
CCN1C=C(C=N1)NC2=NC3=C(C(=CN3)C4=CC=CC=C4)C(=N2)N[C@@H]5CCCN(C5)C(=O)C=C
InChI
InChI=1S/C25H28N8O/c1-3-21(34)32-12-8-11-18(15-32)28-24-22-20(17-9-6-5-7-10-17)14-26-23(22)30-25(31-24)29-19-13-27-33(4-2)16-19/h3,5-7,9-10,13-14,16,18H,1,4,8,11-12,15H2,2H3,(H3,26,28,29,30,31)/t18-/m1/s1
InChIKey
RFHWLYCWPJCJSE-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Jak3/btk-IN-1
CAS: 2674036-91-8
CID: 156807359
Formula: C25H28N8O
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass456.23860755
Monoisotopic Mass456.23860755
Topological Polar Surface Area104 Ų
Heavy Atom Count34
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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