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DRAK1/2-IN-1

CAT: 0804-HY-152954Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-152954Size:1 Each
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Description
DRAK1/2-IN-1 (compound 10e) is an active dual DRAK1 and DRAK2 inhibitor with Kd values of 1 μM and 6 μM, respectively[1].
CAS Number
1629227-34-4
UNSPSC
12352005
Target
DAPK
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/drak1-2-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1CCCCC1)NC2=CSC3=NC=C(C4=CC(OC)=C(OC)C=C4)C=C32
Molecular Formula
C22H24N2O3S
Molecular Weight
396.50
References & Citations
[1]Gao LJ, et al. Discovery of dual death-associated protein related apoptosis inducing protein kinase 1 and 2 inhibitors by a scaffold hopping approach. J Med Chem. 2014 Sep 25;57 (18) :7624-43.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Drak1/2-IN-1
CAS Number1629227-34-4
PubChem CID118714182
IUPAC NameN-[5-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-3-yl]cyclohexanecarboxamide
Molecular FormulaC22H24N2O3S
Molecular Weight396.5
XLogP5
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity528
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(N=C2)SC=C3NC(=O)C4CCCCC4)OC
InChI
InChI=1S/C22H24N2O3S/c1-26-19-9-8-15(11-20(19)27-2)16-10-17-18(13-28-22(17)23-12-16)24-21(25)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,24,25)
InChIKey
HGVYGHNZFIZVJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Drak1/2-IN-1
CAS: 1629227-34-4
CID: 118714182
Formula: C22H24N2O3S
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass396.15076381
Monoisotopic Mass396.15076381
Topological Polar Surface Area88.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity528
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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