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A4B17

CAT: 0804-HY-139623-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139623-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A4B17 is an androgen receptor N-terminal inhibitor for researching androgen-responsive prostate cancer.
CAS Number
2759918-91-5
UNSPSC
12352005
Target
Androgen Receptor
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/a4b17.html
Purity
99.94
Solubility
DMF : 100 mg/mL (ultrasonic)
Smiles
FC(C1=CC=C(SC(C2=CC=C(F)C=C2)=N3)C3=C1)(F)F
Molecular Formula
C14H7F4NS
Molecular Weight
297.27
References & Citations
[1]Kuznik NC, et al. Development of a Benzothiazole Scaffold-Based Androgen Receptor N-Terminal Inhibitor for Treating Androgen-Responsive Prostate Cancer. ACS Chem Biol. 2021 Nov 19;16 (11) :2103-2108.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(4-Fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
CAS Number2759918-91-5
PubChem CID138453857
IUPAC Name2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
Molecular FormulaC14H7F4NS
Molecular Weight297.27
XLogP5.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity341
SMILES
C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)F
InChI
InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H
InChIKey
HVPGYAGVCOFPJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole
CAS: 2759918-91-5
CID: 138453857
Formula: C14H7F4NS
MW: 297.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.27
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass297.02353305
Monoisotopic Mass297.02353305
Topological Polar Surface Area41.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity341
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

Alternative Products

CatalogName
BA9201-25A4B17

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