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2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxo-acetic aci d structure, CAS 393105-53-8

2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxo-acetic aci d

CAS Number393105-53-8

Synonyms2-{1-benzyl-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl}-2-oxoacetic acid; Tiplasinin; PAI-039; UNII-L396QIB983; {1-Benzyl-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl}(oxo)acetic acid; Tiplaxtinin; Tiplasinin [USAN]; 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxo-acetic aci d

Molecular FormulaC24H16O4N1F3

Molecular Weight439.39

Purity

Density1.3±0.1 g/cm3

Boiling Point588.0±50.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancelight yellow solid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-3179915 Purity:
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Quality Control of [ 393105-53-8 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number393105-53-8
Catalog No.2A-3179915
Chinese NameALPHA-氧代-1-(苯基甲基)-5-[4-(三氟甲氧基)苯基]-1H-吲哚-3-乙酸
Synonyms2-{1-benzyl-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl}-2-oxoacetic acid; Tiplasinin; PAI-039; UNII-L396QIB983; {1-Benzyl-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl}(oxo)acetic acid; Tiplaxtinin; Tiplasinin [USAN]; 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxo-acetic aci d
Molecular FormulaC24H16O4N1F3
Molecular Weight439.39
Density1.3±0.1 g/cm3
Boiling Point588.0±50.0 °C at 760 mmHg
Appearancelight yellow solid
Storage Condition-20℃
ApplicationTiplaxtinin is an orally available and selective plasminogen activator inhibitor-1 (PAI-1) inhibitor with an IC50 of 2.7 μM.
PubChem ID11972270
MDL NumberMFCD09475615
SMILESO=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=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)
InChI KeyODXQFEWQSHNQNI-UHFFFAOYSA-N
Transport InfoProduct Name: Tiplaxtinin
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