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JAK-IN-14

CAT: 0804-HY-139807-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139807-01Size:5 mg
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Description
JAK-IN-14 is a potent and selective JAK1 inhibitor, with an IC50 of 8-fold more selective for JAK1 than JAK2 and JAK3 (Patent WO2016119700A1, compound 16) [1].
CAS Number
1973485-06-1
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
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/jak-in-14.html
Concentration
10mM
Purity
99.15
Solubility
DMSO : 10.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CCC1=CC(F)=C(C2=CC=CC3=NC(NC(C4CC4)=O)=CN32)C=C1
Molecular Formula
C19H15FN4O
Molecular Weight
334.35
References & Citations
[1]Jin Li, et al. Substituted imidazo [1, 2-a] pyridin-2-ylamine compounds, and pharmaceutical compositions and methods of use thereof. WO2016119700A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Jak-IN-14
CAS Number1973485-06-1
PubChem CID122462783
IUPAC NameN-[5-[4-(cyanomethyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
Molecular FormulaC19H15FN4O
Molecular Weight334.3
XLogP3.1
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity557
SMILES
C1CC1C(=O)NC2=CN3C(=N2)C=CC=C3C4=C(C=C(C=C4)CC#N)F
InChI
InChI=1S/C19H15FN4O/c20-15-10-12(8-9-21)4-7-14(15)16-2-1-3-18-22-17(11-24(16)18)23-19(25)13-5-6-13/h1-4,7,10-11,13H,5-6,8H2,(H,23,25)
InChIKey
MQLCYDOEKWSOBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak-IN-14
CAS: 1973485-06-1
CID: 122462783
Formula: C19H15FN4O
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass334.12298928
Monoisotopic Mass334.12298928
Topological Polar Surface Area70.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity557
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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