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Haspin-IN-1

CAT: 0804-HY-146586Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146586Size:1 Each
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Description
Haspin-IN-1 (compound 2a) is a haspin inhibitor with an IC50 of 119 nM. Haspin-IN-1 also inbibits CLK1 and DYRK1A with IC50s of 221 nM and 916.3 nM, respectively[1].
CAS Number
2768474-30-0
UNSPSC
12352005
Target
CDK; DYRK; Haspin Kinase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/haspin-in-1.html
Solubility
10 mM in DMSO
Smiles
CSC1=NC2=C(C3=C(C=C2C=N1)C=NC=C3)[N+]([O-])=O
Molecular Formula
C12H8N4O2S
Molecular Weight
272.28
References & Citations
[1]Wael Zeinyeh, et al. Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity. Eur J Med Chem. 2022 Jun 5;236:114369.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CLK; DYRK1

Chemical Information

Haspin-IN-1
CAS Number2768474-30-0
PubChem CID156009110
IUPAC Name2-methylsulfanyl-10-nitropyrido[3,4-g]quinazoline
Molecular FormulaC12H8N4O2S
Molecular Weight272.28
XLogP2.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity351
SMILES
CSC1=NC=C2C=C3C=NC=CC3=C(C2=N1)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O2S/c1-19-12-14-6-8-4-7-5-13-3-2-9(7)11(16(17)18)10(8)15-12/h2-6H,1H3
InChIKey
FAEYQDREFVLABR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Haspin-IN-1
CAS: 2768474-30-0
CID: 156009110
Formula: C12H8N4O2S
MW: 272.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.28
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass272.03679668
Monoisotopic Mass272.03679668
Topological Polar Surface Area110 Ų
Heavy Atom Count19
Formal Charge0
Complexity351
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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