BI-671800

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H26F3N5O3
Molecular Weight	501.5008
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O

InChI

InChIKey=XEOSTBFUCNZKGS-UHFFFAOYSA-N

InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)

HIDE SMILES / InChI

Molecular Formula	C25H26F3N5O3
Molecular Weight	501.5008
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25861737
Curator's Comment: Description was created based on several sources, including http://erj.ersjournals.com/content/40/Suppl_56/P1792

Boehringer Ingelheim is developing BI-671800, an orally administered treatment for seasonal allergic rhinitis and asthma. BI-671800 is an antagonist of the PGD2 receptor, CRTH2. PGD2 stimulates bronchoconstriction and allergic airway inflammation in animal models. Inhibition of CRTH2 may reduce airway inflammatory cells, IL -4, -5, -13 production, serum IgE and airway hyper reactivity. Treatment with BI-671800 in poorly controlled asthmatic patients receiving FP was associated with a significant improvement in FEV1. BI-671800 was well tolerated at a total daily dose of 800 mg for 6 weeks.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
G protein-coupled receptor 44 7 Target ID: CHEMBL5071 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25861737 \| http://adisinsight.springer.com/drugs/800031233	Antagonist 2778

Conditions

Condition	Modality	Targets	Highest Phase	Product
Seasonal allergic rhinitis 64 Sources: https://clinicaltrials.gov/ct2/show/NCT01007721 http://adisinsight.springer.com/drugs/800031233	Primary		Phase II 1132	Unknown Approved Use Unknown
Asthma 241 Sources: https://clinicaltrials.gov/ct2/show/NCT01090024 http://adisinsight.springer.com/drugs/800031233	Primary		Phase II 1132	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
4780 ng/mL OTHER GOV'T https://www.mystudywindow.com/trial/completed/253367/1268-0059	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		BI-671800 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
7600 ng/mL OTHER GOV'T https://www.mystudywindow.com/trial/completed/253367/1268-0059	400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		BI-671800 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
19100 ng × h/mL OTHER GOV'T https://www.mystudywindow.com/trial/completed/253367/1268-0059	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		BI-671800 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
32500 ng × h/mL OTHER GOV'T https://www.mystudywindow.com/trial/completed/253367/1268-0059	400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		BI-671800 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
9.05 h OTHER GOV'T https://www.mystudywindow.com/trial/completed/253367/1268-0059	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		BI-671800 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
15.2 h OTHER GOV'T https://www.mystudywindow.com/trial/completed/253367/1268-0059	400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		BI-671800 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
Chem Scene	CS-0070031	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0070031
ChemShuttle	140456	https://www.chemshuttle.com/catalogsearch/result/?q=140456
Hangzhou APIChem Technology	AC-30903
MedChem Express	HY-114141	https://www.medchemexpress.com/search.html?q=HY-114141&ft=&fa=&fp=
MolPort	MolPort-046-683-365	https://www.molport.com/shop/molecule-link/MolPort-046-683-365
MuseChem	I004211	https://www.musechem.com/product/I004211.html
eMolecules	222564490	https://orderbb.emolecules.com/search/#?query=222564490

PubMed

Title	Date	PubMed
Efficacy of the oral chemoattractant receptor homologous molecule on TH2 cells antagonist BI 671800 in patients with seasonal allergic rhinitis.	2014 Feb	24332218

Patents

Sample Use Guides

In Vivo Use Guide

Oral BI-671800 ED 200 mg twice daily or 400 mg once daily administered in the morning (AM) or evening (PM), in symptomatic asthma patients

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:09:56 GMT 2023` Edited by `admin` on `Fri Dec 15 16:09:56 GMT 2023`
Record UNII	721F767LHB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BI-671800

Code

English

5-PYRIMIDINEACETIC ACID, 4,6-BIS(DIMETHYLAMINO)-2-((4-((4-(TRIFLUOROMETHYL)BENZOYL)AMINO)PHENYL)METHYL)-

Common Name

English

BI671800

Code

English

Code System Code Type Description

DRUG BANK

DB12524