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Tiplaxtinin (PAI-039)

CAT: 0957-S7922-200mgSize: 200 mgDry Ice: YesHazardous: No
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CAT#:0957-S7922-200mgSize:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
393105-53-8
Target
PAI-1
Applications
Metabolism
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
Molecular Formula
C24H16F3NO4
Additionnal Information
Tiplaxtinin (PAI-039) is an orally efficacious and selective plasminogen activator inhibitor-1 (PAI-1) inhibitor with IC50 of 2.7 μM.
Storage Conditions
2 years -80 in solvent

Chemical Information

Tiplasinin

Tiplasinin is a member of indole-3-acetic acids.

CAS Number393105-53-8
PubChem CID6450819
IUPAC Name2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
Molecular FormulaC24H16F3NO4
Molecular Weight439.4
XLogP5.8
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity671
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
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
Chemical Structure
2D Structure
2D structure of Tiplasinin
CAS: 393105-53-8
CID: 6450819
Formula: C24H16F3NO4
MW: 439.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.4
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass439.10314248
Monoisotopic Mass439.10314248
Topological Polar Surface Area68.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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C13054-200mgTiplaxtinin (PAI-039)
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A14190-100Tiplaxtinin (PAI-039) 100mg
A14190-500Tiplaxtinin (PAI-039) 500mg
A14190-50Tiplaxtinin (PAI-039) 50mg
A14190-2Tiplaxtinin (PAI-039) 2mg
A14190-10mM-DTiplaxtinin (PAI-039) 10mM * 1mL in DMSO
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