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TMB 8 (hydrochloride)

CAT: 0931-T36554-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36554-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53464-72-5
Target
Others, Calcium Channel
Related Pathways
Metabolism, Others, Membrane transporter/Ion channel
Bioactivity
TMB 8 is a non-competitive antagonist of nicotinic acetylcholine receptors (nAChRs) with IC50 values of 390 and 350 nM, respectively, for human muscle-type and α3β4 subunit-containing ganglionic nAChRs expressed in TE671/RD or SH-SY5Y cells. It inhibits nicotine-induced dopamine release from rat brain synaptosomes (IC50 = 480 nM) . TMB 8 also reduces calcium availability in smooth and skeletal muscle, blocking the contractile response in isolated rabbit aortic strip when used at a concentration of 50 μM and inhibiting calcium influx and efflux in isolated guinea pig ileum when used at a concentration of 65 μM. It has been used in the study of intracellular calcium dynamics, particularly in smooth muscle. TMB 8 also inhibits protein kinase C (PKC) activity in a dose-dependent manner.
Smiles
Cl.CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1
Molecular Formula
C22H38ClNO5
Molecular Weight
431.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
CAS Number53464-72-5
PubChem CID6917843
IUPAC Name8-(diethylamino)octyl 3,4,5-trimethoxybenzoate;hydrochloride
Molecular FormulaC22H38ClNO5
Molecular Weight432.0
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count29
Formal Charge0
Complexity388
SMILES
CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.Cl
InChI
InChI=1S/C22H37NO5.ClH/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4;/h16-17H,6-15H2,1-5H3;1H
InChIKey
KFJZVXKPPQIYCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
CAS: 53464-72-5
CID: 6917843
Formula: C22H38ClNO5
MW: 432.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass431.2438510
Monoisotopic Mass431.2438510
Topological Polar Surface Area57.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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