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Stachydrine

CAT: 0931-T5769-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T5769-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
471-87-4
Target
Endogenous Metabolite, NF-κB
Related Pathways
NF-κB, Metabolism
Purity
0.9994
Bioactivity
Stachydrine (N, N-Dimethyl-L-proline) is a major constituent of Chinese herb leonurus heterophyllus sweet used to promote blood circulation and dispel blood stasis. Stachydrine (N, N-Dimethyl-L-proline) can inhibit the NF-κB signal pathway. Stachydrine (N, N-Dimethyl-L-proline) is a biomarker for the consumption of citrus fruits.
Smiles
C[N+]1(C)CCC[C@H]1C([O-])=O
Molecular Formula
C7H13NO2
Molecular Weight
143.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(-)-Stachydrine

L-proline betaine is an amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. It has a role as a plant metabolite, a food component and a human blood serum metabolite. It is a N-methyl-L-alpha-amino acid, an alkaloid and an amino-acid betaine. It is functionally related to a L-prolinium. It is a conjugate base of a N,N-dimethyl-L-prolinium. It is an enantiomer of a D-proline betaine.

CAS Number471-87-4
PubChem CID115244
IUPAC Name(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
Molecular FormulaC7H13NO2
Molecular Weight143.18
XLogP1
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity148
SMILES
C[N+]1(CCC[C@H]1C(=O)[O-])C
InChI
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
CMUNUTVVOOHQPW-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (-)-Stachydrine
CAS: 471-87-4
CID: 115244
Formula: C7H13NO2
MW: 143.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.18
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass143.094628657
Monoisotopic Mass143.094628657
Topological Polar Surface Area40.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ2975Stachydrine
HY-N0298A(±) -Stachydrine
C3648-100Stachydrine (hydrochloride)
TRC-S687300-10MGStachydrine Chloride
GY9308-1gStachydrine hydrochloride
HY-N0298R-01Stachydrine (Standard)

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