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JAK-IN-24

CAT: 0804-HY-153050-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153050-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JAK-IN-24 is a JAK inhibitor, with IC50s of 0.534 and 24 nM at the presence of 4 μM or 1mM ATP, respectively. JAK-IN-24 also inhibits PBMC IL-15 induced STAT5 phosphorylation with an IC50 of 86.171 nM[1]. JAK-IN-24 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
2042629-43-4
UNSPSC
12352005
Target
JAK
Type
Reference compound
Related Pathways
Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/jak-in-24.html
Purity
99.27
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C#CCOCCC1=CNC2=NC=NC(N[C@H]3CN([C@H](CC3)C)C(C=C)=O)=C21
Molecular Formula
C20H25N5O2
Molecular Weight
367.44
References & Citations
[1]Atli Thorarensen, et al. Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl, pyrrolo[2,3-b]pyridinyl acrylamides and epoxides thereof. Patent. WO2016178110.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Jak-IN-24
CAS Number2042629-43-4
PubChem CID122673818
IUPAC Name1-[(2S,5R)-2-methyl-5-[[5-(2-prop-2-ynoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
Molecular FormulaC20H25N5O2
Molecular Weight367.4
XLogP2.3
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC=NC3=C2C(=CN3)CCOCC#C
InChI
InChI=1S/C20H25N5O2/c1-4-9-27-10-8-15-11-21-19-18(15)20(23-13-22-19)24-16-7-6-14(3)25(12-16)17(26)5-2/h1,5,11,13-14,16H,2,6-10,12H2,3H3,(H2,21,22,23,24)/t14-,16+/m0/s1
InChIKey
OQQBLYFXQMNSIZ-GOEBONIOSA-N
Chemical Structure
2D Structure
2D structure of Jak-IN-24
CAS: 2042629-43-4
CID: 122673818
Formula: C20H25N5O2
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass367.20082506
Monoisotopic Mass367.20082506
Topological Polar Surface Area83.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
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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