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JAK1/TYK2-IN-4

CAT: 0931-T86755-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86755-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2734918-33-1
Target
JAK
Related Pathways
Chromatin/Epigenetic, Tyrosine Kinase/Adaptors, JAK/STAT signaling, Stem Cells, Angiogenesis
Bioactivity
JAK1/TYK2-IN-4 serves as a dual inhibitor targeting both JAK and TYK2, displaying IC50 values of 39 nM and 21 nM, respectively. It is also orally bioavailable [1].
Smiles
O=C1C2(CCN(CC2)C3=NC(NC4=CN(C)N=C4)=NC=C3C)CCN1
Molecular Formula
C17H23N7O
Molecular Weight
341.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jak1/tyk2-IN-4
CAS Number2734918-33-1
PubChem CID162351808
IUPAC Name8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
Molecular FormulaC17H23N7O
Molecular Weight341.4
XLogP0.9
Topological Polar Surface Area88
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity493
SMILES
CC1=CN=C(N=C1N2CCC3(CCNC3=O)CC2)NC4=CN(N=C4)C
InChI
InChI=1S/C17H23N7O/c1-12-9-19-16(21-13-10-20-23(2)11-13)22-14(12)24-7-4-17(5-8-24)3-6-18-15(17)25/h9-11H,3-8H2,1-2H3,(H,18,25)(H,19,21,22)
InChIKey
DPSAEIZXTBZMML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak1/tyk2-IN-4
CAS: 2734918-33-1
CID: 162351808
Formula: C17H23N7O
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass341.19640838
Monoisotopic Mass341.19640838
Topological Polar Surface Area88 Ų
Heavy Atom Count25
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-161019JAK1/TYK2-IN-4
HY-143885JAK1/TYK2-IN-3
GTR19272864-01JAK1/TYK2-IN-5
HY-145336JAK1/TYK2-IN-1
BA4924-1JAK1-IN-4
A18821-5JAK1-IN-4 5mg
A18821-100JAK1-IN-4 100mg
A18821-50JAK1-IN-4 50mg
A18821-10JAK1-IN-4 10mg
A18821-25JAK1-IN-4 25mg

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