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JAK3/BTK-IN-5

CAT: 0013-GTR19186460-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186460-01Size: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-5 is a potent dual inhibitor targeting Bruton's tyrosine kinase (BTK) and Janus kinase 3 (JAK3), key signaling nodes in autoimmune and inflammatory diseases. Its synergistic mechanism has shown utility in preclinical research for conditions like rheumatoid arthritis, supporting its value in both in vitro and in vivo experimental models.
CAS Number
2673196-75-1
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O (C1=C2C (=NC (NC3=CN (CC) N=C3) =N1) NC=C2Cl) [C@H]4CN (C (C=C) =O) [C@@H] (C) C4
Molecular Formula
C19H22ClN7O2
Molecular Weight
415.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jak3/btk-IN-5
CAS Number2673196-75-1
PubChem CID156807378
IUPAC Name1-[(2S,4R)-4-[[5-chloro-2-[(1-ethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-2-methylpyrrolidin-1-yl]prop-2-en-1-one
Molecular FormulaC19H22ClN7O2
Molecular Weight415.9
XLogP2.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity611
SMILES
CCN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)O[C@@H]4C[C@@H](N(C4)C(=O)C=C)C
InChI
InChI=1S/C19H22ClN7O2/c1-4-15(28)27-10-13(6-11(27)3)29-18-16-14(20)8-21-17(16)24-19(25-18)23-12-7-22-26(5-2)9-12/h4,7-9,11,13H,1,5-6,10H2,2-3H3,(H2,21,23,24,25)/t11-,13+/m0/s1
InChIKey
VBHTYKLWZKIOEE-WCQYABFASA-N
Chemical Structure
2D Structure
2D structure of Jak3/btk-IN-5
CAS: 2673196-75-1
CID: 156807378
Formula: C19H22ClN7O2
MW: 415.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.9
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass415.1523507
Monoisotopic Mass415.1523507
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity611
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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