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Talarozole

CAT: 0931-T7370-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T7370-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201410-53-9
Target
Retinoid Receptor, Autophagy, Cytochromes P450
Related Pathways
Metabolism, Autophagy
Purity
0.98
Bioactivity
Talarozole (R115866) is an oral systemic all-trans retinoic acid metabolism blocking agent (RAMBA) that inhibits CYP26A1 and CYP26B1 with IC50s of 5.4 and 0.46 nM, respectively, for treating acne, psoriasis, and other keratinization disorders.
Smiles
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
Molecular Formula
C21H23N5S
Molecular Weight
377.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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 Number201410-53-9
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: 201410-53-9
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

Alternative Products

CatalogName
A3853-10Talarozole
BIA41066-01(+) -Talarozole
HY-14802D-01(-) -Talarozole
MBS3845875-01(+)-Talarozole
MBS3845881-01(-)-Talarozole
A21451-10(-) -Talarozole 10mg
A21451-5(-) -Talarozole 5mg
A21124-25Talarozole 25mg
E2949-01Talarozole (R115866)

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