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JAK1-IN-10

CAT: 0804-HY-153566Size: 1 EachDry Ice: NoHazardous: No
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Description
JAK1-IN-10 (compound 9), a cyano-substituted cyclic hydrazine derivative, is a potent and selective JAK1 inhibitor[1].
CAS Number
2416858-88-1
UNSPSC
12352005
Target
JAK
Type
Reference compound
Related Pathways
Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/jak1-in-10.html
Solubility
10 mM in DMSO
Smiles
N#CCC1CCN(CC1)N2C(N)=NC3=CNC4=NC=CC4=C32
Molecular Formula
C15H17N7
Molecular Weight
295.34
References & Citations
[1]Shen Wang, et al. Preparation method of cyano-substituted cyclic hydrazine derivative and its application. World Intellectual Property Organization, WO2021051899 A1. 2021-03-25.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
JAK1

Chemical Information

Jak1-IN-10
CAS Number2416858-88-1
PubChem CID156175931
IUPAC Name2-[1-(4-amino-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-4-yl]acetonitrile
Molecular FormulaC15H17N7
Molecular Weight295.34
XLogP1.5
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity452
SMILES
C1CN(CCC1CC#N)N2C3=C4C=CNC4=NC=C3N=C2N
InChI
InChI=1S/C15H17N7/c16-5-1-10-3-7-21(8-4-10)22-13-11-2-6-18-14(11)19-9-12(13)20-15(22)17/h2,6,9-10H,1,3-4,7-8H2,(H2,17,20)(H,18,19)
InChIKey
STJLYJRBULLMMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak1-IN-10
CAS: 2416858-88-1
CID: 156175931
Formula: C15H17N7
MW: 295.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.34
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass295.15454357
Monoisotopic Mass295.15454357
Topological Polar Surface Area99.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity452
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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