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N-trans-Sinapoyltyramine

CAT: 0013-GTR19164596-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164596-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-trans-Sinapoyltyramine demonstrates potent and selective anti-proliferative activity against HeLa cervical cancer cells in vitro, with an IC50 of 9.77 ± 1.25 μM. This small molecule is a candidate for investigating novel anticancer mechanisms and cytotoxicity in cellular models.
CAS Number
200125-11-7
Product Name Alternative
NtransSinapoyltyramine, N-trans-Sinapoyltyramine, N trans Sinapoyltyramine
Purity
99.73% (May vary between batches)
Solubility
DMSO:55 mg/mL (160.18 mM)
Smiles
C (=C/C (NCCC1=CC=C (O) C=C1) =O) \C2=CC (OC) =C (O) C (OC) =C2
Molecular Formula
C19H21NO5
Molecular Weight
343.37
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

N-Trans-Sinapoyltyramine

N-trans-sinapoyltyramine is a N-sinapoyltyramine in which the double bond adopts trans-configuration. It is a natural product found in several plant species including Piper boehmeriaefolium. It has a role as a plant metabolite. It is functionally related to a trans-sinapic acid.

CAS Number200125-11-7
PubChem CID25245053
IUPAC Name(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Molecular FormulaC19H21NO5
Molecular Weight343.4
XLogP2.1
Topological Polar Surface Area88
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity420
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCC2=CC=C(C=C2)O
InChI
InChI=1S/C19H21NO5/c1-24-16-11-14(12-17(25-2)19(16)23)5-8-18(22)20-10-9-13-3-6-15(21)7-4-13/h3-8,11-12,21,23H,9-10H2,1-2H3,(H,20,22)/b8-5+
InChIKey
IEDBNTAKVGBZEP-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of N-Trans-Sinapoyltyramine
CAS: 200125-11-7
CID: 25245053
Formula: C19H21NO5
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass343.14197277
Monoisotopic Mass343.14197277
Topological Polar Surface Area88 Ų
Heavy Atom Count25
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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