# 4-Hy-droxy-5-meth-oxy-N,1-dimethyl-2-oxo-N-[4-(tri-fluoro-meth-yl)phen-yl]-1,2-di-hydro-quinoline-3-carboxamide.
> タスキニモドの結晶構造解析：転移性前立腺癌臨床試験中のキノリン-3-カルボキサミド誘導体


## Abstract

This paper reports the X-ray crystal structure of tasquinimod (molecular formula C20H17F3N2O4), a second-generation orally administered quinoline-3-carboxamide analogue currently undergoing Phase III clinical evaluation in metastatic prostate cancer. The quinoline ring system is nearly planar, with a root-mean-square deviation of 0.0075 Å for fitted atoms. The carboxamide side chain at position 3 is tilted approximately 88.07° relative to the quinoline plane, with both the methyl and carbonyl groups adopting a syn conformation. The 4-(trifluoromethyl)phenyl ring is inclined at 50.62° to the carboxamide plane and at 87.14° to the quinoline ring system. The hydroxyl hydrogen at position 4 participates in both an intramolecular hydrogen bond directed toward the 5-methoxy oxygen and an intermolecular contact with the 2-oxo group, producing a chain motif along the [010] crystallographic direction.

## Bibliographic

- **Authors**: Akinboye ES, Butcher RJ, Yildirim SO, Isaacs JT
- **Journal**: Acta Crystallogr Sect E Struct Rep Online
- **Year**: 2014 (2014-03-01)
- **PMID**: [24765003](https://pubmed.ncbi.nlm.nih.gov/24765003/)
- **DOI**: [10.1107/S1600536814003031](https://doi.org/10.1107/S1600536814003031)
- **PMC**: [PMC3998412](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998412/)
- **Study type**: other
- **Delivery route**: not specified
- **Effect reported**: not assessed

## Delivery context

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

## Safety notes

The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).

See also:
- [Inhalation concentration and LFL / UFL](https://h2-papers.org/en/safety-notes/inhalation-concentration)
- [Consumer Affairs Agency accident cases](https://h2-papers.org/en/safety-notes/accident-cases)

---

> **Cite as**: H2 Papers — PMID 24765003. https://h2-papers.org/en/papers/24765003
> **Source**: PubMed PMID [24765003](https://pubmed.ncbi.nlm.nih.gov/24765003/)