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ZT-1a

CAT: 1568-C01972-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C01972-100mgSize:100 mg
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CAS Number
212135-62-1
Target
Others
Applications
Others
Molecular Formula
C22H15Cl3N2O2
Additionnal Information
ZT-1a is a potent and selective, non-ATP-competitive inhibitor of STE20/SPS1-related proline-alanine-rich kinase (SPAK) with an IC50 of 44.3 μM. It can exhibit therapeutic potential for brain disorders linked to impaired ionic homeostasis in research.

Chemical Information

ZT-1a
CAS Number212135-62-1
PubChem CID10789506
IUPAC Name5-chloro-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxybenzamide
Molecular FormulaC22H15Cl3N2O2
Molecular Weight445.7
XLogP6.6
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
CC1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)O)Cl)C(C#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H15Cl3N2O2/c1-12-8-16(18(11-26)13-2-4-14(23)5-3-13)19(25)10-20(12)27-22(29)17-9-15(24)6-7-21(17)28/h2-10,18,28H,1H3,(H,27,29)
InChIKey
RPTKRVXJNWPJLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ZT-1a
CAS: 212135-62-1
CID: 10789506
Formula: C22H15Cl3N2O2
MW: 445.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.7
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass444.019911
Monoisotopic Mass444.019911
Topological Polar Surface Area73.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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