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Tiplaxtinin(PAI-039)

CAT: 0607-B5906-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5906-10Size:10 mg
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Description
Orally efficacious inhibitor of PAI-1
CAS Number
393105-53-8
Product Name Alternative
2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)-1H-indol-3-yl)-2-oxoacetic acid
Field of Research
Others
Purity
0.9992
Form
A solid
Solubility
insoluble in H2O; ≥17.6 mg/mL in DMSO; ≥53.7 mg/mL in EtOH
Smiles
FC(F)(OC1=CC=C(C2=CC(C(C(C(O)=O)=O)=CN3CC4=CC=CC=C4)=C3C=C2)C=C1)F
Molecular Formula
C24H16F3NO4
Molecular Weight
439.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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

Related Products

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BA1602-5.1FIT-039
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F1776-.1Anti-SERPINE1 Antibody (Sanofi patent anti-PAI-1)
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F1776-5Anti-SERPINE1 Antibody (Sanofi patent anti-PAI-1)

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