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Toddalolactone - 10mM in DMSO, high purity , CAS No.483-90-9

    Grade & Purity:
  • 10mM in DMSO
  • Cas Number:  483-90-9
  • Molecular Weight:  308.33
  • PubChem CID: 160485
In stock
Item Number
T424199
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T424199-1ml
1ml
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$141.90

PAI-1 Inhibitors

Basic Description

Synonyms Toddalolactone | 483-90-9 | 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one | 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy- | (+)-Toddalolactone | CHEMBL2236569 | DTXSID00197484 | HY-N0518 | s9194 | AKOS000277888 | CCG-267560 | AC-34493 |
Specifications & Purity 10mM in DMSO
Biochemical and Physiological Mechanisms Toddalolactone, a natural coumarin, inhibits the activity of recombinant human Plasminogen activator inhibitor-1 (PAI-1) in a dose-dependent manner, yielding an IC50 value of 37.31 ± 3.23 μM.
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Information

Toddalolactone Toddalolactone, a natural coumarin, inhibits the activity of recombinant human Plasminogen activator inhibitor-1 (PAI-1) in a dose-dependent manner, yielding an IC50 value of 37.31 ± 3.23 μM.

Targets

PAI-1 37.31 μM

In vitro

Toddalolactone inhibits the binding between PAI-1 and uPA, and therefore prevented the formation of the PAI-1/uPA complex.

In vivo

Intraperitoneal injection of toddalolactone in mice significantly prolonged tail bleeding and reduced arterial thrombus weight in a FeCl3-induced thrombosis model. Moreover, the hydroxyproline level in the plasma and the degree of liver fibrosis in mice were decreased after intraperitoneal injection of toddalolactone in CCl4-induced mouse liver fibrosis model.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Coumarins and derivatives
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Coumarins and derivatives
Alternative Parents 1-benzopyrans  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  Tertiary alcohols  Heteroaromatic compounds  Secondary alcohols  Lactones  1,2-diols  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available

Product Properties

ALogP 1.655
HBD Count 1
Rotatable Bond 5

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
INCHI InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-11(20-3)8-12-9(15(10)21-4)5-6-14(18)22-12/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1
InChIKey GLWPLQBQHWYKRK-CYBMUJFWSA-N
Smiles CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O
Isomeric SMILES CC(C)([C@@H](CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O
PubChem CID 160485
Molecular Weight 308.33

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility 61
DMSO(mM) Max Solubility 197.842286615742
Molecular Weight 308.330 g/mol
XLogP3 1.400
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 308.126 Da
Monoisotopic Mass 308.126 Da
Topological Polar Surface Area 85.200 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 432.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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