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(-) -Talarozole

CAT: 0804-HY-14802D-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14802D-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(-) -Talarozole is a potent inhibitor of retinoic acid metabolism extracted from patent WO 1997049704 A1.
CAS Number
201410-67-5
UNSPSC
12352005
Target
Autophagy; RAR/RXR
Type
Reference compound
Related Pathways
Autophagy; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/_-_-Talarozole.html
Purity
98.05
Solubility
DMSO : ≥ 72.5 mg/mL
Smiles
CCC(CC)C(C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1)N4N=CN=C4.[(-)].[Rotation]
Molecular Formula
C21H23N5S
Molecular Weight
377.51
References & Citations
[1]Marc Gaston Venet, et al. N-[4- (heteroarylmethyl) phenyl]-heteroarylamines. WO 1997049704 A1.
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

Talarozole

N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine is a member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group. It is an aromatic amine, a member of triazoles, a member of benzothiazoles and a secondary amino compound.

CAS Number201410-67-5
PubChem CID9799888
IUPAC NameN-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine
Molecular FormulaC21H23N5S
Molecular Weight377.5
XLogP6
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity452
SMILES
CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4
InChI
InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
InChIKey
SNFYYXUGUBUECJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Talarozole
CAS: 201410-67-5
CID: 9799888
Formula: C21H23N5S
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass377.16741693
Monoisotopic Mass377.16741693
Topological Polar Surface Area83.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity452
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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