WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H524414
CAS#: 1093108-50-9
Description: BI-671800 is a CRTH2 antagonist that treats patients with asthma. BI 671800 is associated with a small improvement in FEV1 in symptomatic controller-naïve asthma patients, and in patients on inhaled corticosteroid (ICS) therapy.
Hodoodo Cat#: H524414
Name: BI-671800
CAS#: 1093108-50-9
Chemical Formula: C25H26F3N5O3
Exact Mass: 501.20
Molecular Weight: 501.500
Elemental Analysis: C, 59.87; H, 5.23; F, 11.36; N, 13.96; O, 9.57
Synonym: BI-671800; BI 671800; BI671800.
IUPAC/Chemical Name: 5-Pyrimidineacetic acid, 4,6-bis(dimethylamino)-2-((4-((4-(trifluoromethyl)benzoyl)amino)phenyl)methyl)-
InChi Key: XEOSTBFUCNZKGS-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: CN(C)c1c(c(nc(n1)Cc2ccc(cc2)NC(=O)c3ccc(cc3)C(F)(F)F)N(C)C)CC(=O)O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
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The following data is based on the product molecular weight 501.50 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Hall IP, Fowler AV, Gupta A, Tetzlaff K, Nivens MC, Sarno M, Finnigan HA, Bateman ED, Rand Sutherland E. Efficacy of BI 671800, an oral CRTH2 antagonist, in poorly controlled asthma as sole controller and in the presence of inhaled corticosteroid treatment. Pulm Pharmacol Ther. 2015 Jun;32:37-44. doi: 10.1016/j.pupt.2015.03.003. Epub 2015 Apr 8. PubMed PMID: 25861737.
2: Krug N, Gupta A, Badorrek P, Koenen R, Mueller M, Pivovarova A, Hilbert J, Wetzel K, Hohlfeld JM, Wood C. Efficacy of the oral chemoattractant receptor homologous molecule on TH2 cells antagonist BI 671800 in patients with seasonal allergic rhinitis. J Allergy Clin Immunol. 2014 Feb;133(2):414-9. doi: 10.1016/j.jaci.2013.10.013. Epub 2013 Dec 9. PubMed PMID: 24332218.