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JAK3/BTK-IN-2

CAT: 0931-T9813-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9813-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2674036-93-0
Target
JAK, BTK
Related Pathways
Chromatin/Epigenetic, Angiogenesis, Stem Cells, JAK/STAT signaling, Tyrosine Kinase/Adaptors
Purity
0.9987
Bioactivity
JAK3/ BTk-in-2 is a potent JAK3/BTK inhibitor. JAK3/ BTk-in-2 inhibits both BTK and JAK3, which are two important targets IN autoimmune diseases. JAK3/ BTk-in-2 simultaneously inhibits the BTK/JAK3 signaling pathway, showing a synergistic effect. JAK3/ BTk-in-2 has the potential to treat diseases associated with abnormal JAK3 and BTK activity.
Smiles
N(C1=C2C(=CNC2=NC(NC3=CN(N=C3)C4CCOCC4)=N1)C5CC5)[C@H]6CN(C(C=C)=O)CCC6
Molecular Formula
C25H32N8O2
Molecular Weight
476.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jak3/btk-IN-2
CAS Number2674036-93-0
PubChem CID156807355
IUPAC Name1-[(3R)-3-[[5-cyclopropyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
Molecular FormulaC25H32N8O2
Molecular Weight476.6
XLogP3
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity760
SMILES
C=CC(=O)N1CCC[C@H](C1)NC2=NC(=NC3=C2C(=CN3)C4CC4)NC5=CN(N=C5)C6CCOCC6
InChI
InChI=1S/C25H32N8O2/c1-2-21(34)32-9-3-4-17(14-32)28-24-22-20(16-5-6-16)13-26-23(22)30-25(31-24)29-18-12-27-33(15-18)19-7-10-35-11-8-19/h2,12-13,15-17,19H,1,3-11,14H2,(H3,26,28,29,30,31)/t17-/m1/s1
InChIKey
RTXZVXGBCVRHBZ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Jak3/btk-IN-2
CAS: 2674036-93-0
CID: 156807355
Formula: C25H32N8O2
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass476.26482229
Monoisotopic Mass476.26482229
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity760
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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