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ZWZH-21

CAT: 0804-HY-175513Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175513Size:1 Each
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Description
ZWZH-21 is a selective and orally active HDAC1/2 dual inhibitor with IC50 values of 34 nM for HDAC1 and 41 nM for HDAC2. ZWZH-21 can inhibit HCT116 and SW480 cells growth with IC50 values of 0.524 μM and 1.063 μM, respectively. ZWZH-21 can inhibit proliferation and migration and induces apoptosis in multiple colorectal cancer cells. ZWZH-21 can be used for the research of cancer, such as colorectal cancer[1].
CAS Number
3069195-42-9
UNSPSC
12352005
Target
Apoptosis; HDAC
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C(NC1=C(N)C=CC=C1)C2=CC=C(OCCN3C(C=NC=C4)=C4C5=C3C=CC=C5)C=C2
Molecular Formula
C26H22N4O2
Molecular Weight
422.48
References & Citations
[1]Wang Z, et al. Design, synthesis, and antitumor activity study of β-carboline derivatives as selective HDAC1/2 inhibitors. Bioorg Chem. 2025 Aug;163:108763.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
HDAC1; HDAC2; HDAC3; HDAC6; HDAC8

Chemical Information

N-(2-aminophenyl)-4-(2-pyrido[3,4-b]indol-9-ylethoxy)benzamide
CAS Number3069195-42-9
PubChem CID176230065
IUPAC NameN-(2-aminophenyl)-4-(2-pyrido[3,4-b]indol-9-ylethoxy)benzamide
Molecular FormulaC26H22N4O2
Molecular Weight422.5
XLogP4
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity623
SMILES
C1=CC=C2C(=C1)C3=C(N2CCOC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)C=NC=C3
InChI
InChI=1S/C26H22N4O2/c27-22-6-2-3-7-23(22)29-26(31)18-9-11-19(12-10-18)32-16-15-30-24-8-4-1-5-20(24)21-13-14-28-17-25(21)30/h1-14,17H,15-16,27H2,(H,29,31)
InChIKey
VFVBSXXYDLBVMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminophenyl)-4-(2-pyrido[3,4-b]indol-9-ylethoxy)benzamide
CAS: 3069195-42-9
CID: 176230065
Formula: C26H22N4O2
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass422.17427596
Monoisotopic Mass422.17427596
Topological Polar Surface Area82.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity623
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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