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Setipiprant

Setipiprant structure

CAS No:
866460-33-5
Formula:
C24H19FN2O3
Chemical Name:
Setipiprant
Synonyms:
5H-Pyrido[4,3-b]indole-5-acetic acid,8-fluoro-1,2,3,4-tetrahydro-2-(1-naphthalenylcarbonyl)-;8-Fluoro-1,2,3,4-tetrahydro-2-(1-naphthalenylcarbonyl)-5H-pyrido[4,3-b]indole-5-acetic acid;Setipiprant;ACT 129968;2-(2-(1-Naphthoyl)-8-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid;1263765-62-3
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Setipiprant is an orally available, selective CRTH2 antagonist. CRTH2 is a G protein-coupled receptor for PGD2.IC50 value: 6.0 nMTarget: PGD2in vitro: Setipiprant is an orally available, selective CRTH2 (chemoattractant receptor-homologous molecule expressed on T helper [Th]-2 cells) antagonist. CRTH2 is a G protein-coupled receptor for prostaglandin (PGD2). PGD2 is produced by the mast cells and is a key mediator in various inflammatory diseases, including allergy and asthma. Binding of

Setipiprant is a naphthalenecarboxamide.|Setipiprant has been investigated for the treatment of Seasonal Allergic Rhinitis.

Setipiprant Basic Attributes

Molecular Weight：

402.425

Exact Mass：

402.42

UNII：

BHF20LA2GM

DSSTox ID：

DTXSID00235739

Characteristics

PSA：

62.5

XLogP3：

3.39

Appearance：

Light yellow to yellow solid

Density：

1.4±0.1 g/cm3

Boiling Point：

690.4±55.0 °C at 760 mmHg

Flash Point：

371.4±31.5 °C

Refractive Index：

1.682

Drug Information

MeSH Entry Terms：

2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido(4,3-b)indol-5(2H)-yl)acetic acid

Computed Properties

Molecular Weight:402.4
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:402.13797063
Monoisotopic Mass:402.13797063
Topological Polar Surface Area:62.5
Heavy Atom Count:30
Complexity:673
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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