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TBTC

CAT: 0931-T24857-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24857-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
213192-26-8
Target
Others, Retinoid Receptor
Related Pathways
Metabolism, Others
Bioactivity
TBTC is a selective agonist of retinoid X receptor α that acts by improving behavioral deficit in Alzheimer's disease model mice.
Smiles
COC(=O)c1c(N)sc2CC(CCc12)C(C)(C)C
Molecular Formula
C14H21NO2S
Molecular Weight
267.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate

a retinoid X receptor alpha agonist; do not confuse with tributyltin chloride, also known as TBTC; structure in first source

CAS Number213192-26-8
PubChem CID2790920
IUPAC Namemethyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular FormulaC14H21NO2S
Molecular Weight267.39
XLogP4.5
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity326
SMILES
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N
InChI
InChI=1S/C14H21NO2S/c1-14(2,3)8-5-6-9-10(7-8)18-12(15)11(9)13(16)17-4/h8H,5-7,15H2,1-4H3
InChIKey
BYFPSGIBNPFZOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate
CAS: 213192-26-8
CID: 2790920
Formula: C14H21NO2S
MW: 267.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.39
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass267.12930009
Monoisotopic Mass267.12930009
Topological Polar Surface Area80.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity326
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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CatalogName
sc-251105TBTC

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