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Tiplaxtinin - ≥98%(HPLC), high purity , CAS No.393105-53-8
Plasminogen activator inhibitor-1 (PAI-1) inhibitor
Basic Description
Synonyms
PAI-039 | WAY-168039 | 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | FT-0700303 | HY-15253 | Tiplasinin [USAN:INN] | A14190 | Tiplasinin (USAN) | 2-[1-benzyl-5-[4-(triluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | CHEBI:1777
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Plasminogen activator inhibitor-1 (PAI-1) inhibitor (IC50= 2.7μM). Induces vascular smooth muscle cell apoptosisin vitroand reduces carotid artery neointimal formation in a rat vascular injury model. Promotes thrombolysis in rat and dog models of acute ar
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indole-3-acetic acid derivatives
Alternative Parents
N-alkylindoles Indoles Phenoxy compounds Phenol ethers Aryl ketones Substituted pyrroles Alpha-keto acids and derivatives Vinylogous amides Alpha-hydroxy ketones Heteroaromatic compounds Trihalomethanes Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - N-alkylindole - Indole - Phenol ether - Phenoxy compound - Aryl ketone - Alpha-keto acid - Substituted pyrrole - Benzenoid - Keto acid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Vinylogous amide - Heteroaromatic compound - Pyrrole - Ketone - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504764206
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764206
IUPAC Name
2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
INCHI
InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
InChIKey
ODXQFEWQSHNQNI-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O
Isomeric SMILES
C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O
PubChem CID
6450819
Molecular Weight
439.38
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 43.94, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 43.94, Max Conc. mM: 100
Molecular Weight
439.400 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
439.103 Da
Monoisotopic Mass
439.103 Da
Topological Polar Surface Area
68.500 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
671.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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
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