Tiplaxtinin (PAI-039)

CAT: 0957-S7922-01Size: 10 mgDry Ice: YesHazardous: No

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CAT#:0957-S7922-01Size:10 mg

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Description

Tiplaxtinin (PAI-039) is an orally efficacious and selective plasminogen activator inhibitor-1 (PAI-1) inhibitor with IC50 of 2.7 μM.

CAS Number

393105-53-8

Target

PAI-1

Activity

Metabolism

Molecular Formula

C24H16F3NO4

Storage Conditions

2 years -80 in solvent

Chemical Information

Tiplasinin

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

CAS Number	393105-53-8
PubChem CID	6450819
IUPAC Name	2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
Molecular Formula	C24H16F3NO4
Molecular Weight	439.4
XLogP	5.8
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	671

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

CAS: 393105-53-8

CID: 6450819

Formula: C24H16F3NO4

MW: 439.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	439.4
XLogP3	5.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	439.10314248
Monoisotopic Mass	439.10314248
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	671
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes