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TMB-8

CAT: 0804-HY-117099-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117099-02Size:10 mg
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Description
TMB-8 is a novel Ca 2+ antagonist. TMB-8 may exert inhibitory effects in smooth muscle by blocking Ca 2+ release from intracellular bound stores.
CAS Number
53464-72-5
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tmb-8.html
Solubility
10 mM in DMSO
Smiles
COC1=C(C(OC)=CC(C(OCCCCCCCCN(CC)CC)=O)=C1)OC.Cl
Molecular Formula
C22H38ClNO5
Molecular Weight
431.99
References & Citations
[1]Malagodi MH, et al. Pharmacological evaluation of a new Ca2+ antagonist, 8- (N, N-diethylamino) -octyl-3,4,5-trimethoxybenzoate hydrochloride (TMB-8) : studies in smooth muscles. Eur J Pharmacol. 1974 Jun;27 (1) :25-33.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
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