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ZSH-2208

CAT: 0804-HY-170863-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-170863-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZSH-2208 is an analog of retinoic acid A, which exerts a potent antitumor effect on regenerative stem cells (TRCs) of esophageal squamous cell carcinoma (ESCC) through RARγ-TNFAIP3[1].
CAS Number
2131803-75-1
UNSPSC
12352005
Target
RAR/RXR
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1(C)C2=C(C=CC(C#CC3=CC(O)=C(C(O)=O)C=C3)=C2)SCC1
Molecular Formula
C20H18O3S
Molecular Weight
338.42
References & Citations
[1]Chen R, et al. ZSH-2208: A novel retinoid with potent anti-tumour effects on ESCC stem cells via RARγ-TNFAIP3 axis. Clin Transl Med. 2025 Jan;15 (1) :e70148.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[2-(4,4-Dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-hydroxybenzoic acid
CAS Number2131803-75-1
PubChem CID19598116
IUPAC Name4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-hydroxybenzoic acid
Molecular FormulaC20H18O3S
Molecular Weight338.4
XLogP5.4
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
CC1(CCSC2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)C(=O)O)O)C
InChI
InChI=1S/C20H18O3S/c1-20(2)9-10-24-18-8-6-13(11-16(18)20)3-4-14-5-7-15(19(22)23)17(21)12-14/h5-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKey
FEYQNXURJUUZNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-(4,4-Dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-2-hydroxybenzoic acid
CAS: 2131803-75-1
CID: 19598116
Formula: C20H18O3S
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass338.09766561
Monoisotopic Mass338.09766561
Topological Polar Surface Area82.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
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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