基本情報
- CAS
158205-05-1- 標準SMILES
CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2- InChIKey
HDUWKQUHMUSICC-UHFFFAOYSA-N- 分子式
- C16H13F2NO3S2
- 平均分子量
- 369.4 g/mol
- 単同位体質量
- 369.03049195
概要
a selective inhibitor of cyclooxygenase-2
名称と識別子
- 優先名称
- L 745337
- IUPAC
- N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
- 現地名
- L-745337
- 英語名
- L-745337
- 分子式
- C16H13F2NO3S2
- 分子量
- 369.41
名称と別名
158205-05-1L-745337L 745337L 745,337L-745,337RefChem:151721ThioflosulideN-(6-((2,4-Difluorophenyl)thio)-2,3-dihydro-1-oxo-1H-inden-5-yl)methanesulfonamideCHEMBL287919N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamideorb1707114SCHEMBL2464202
名称をさらに表示
N-[[6-[(2,4-ジフルオロフェニル)チオ]-2,3-ジヒドロ-1-オキソ-1H-インデン]-5-イル]メタンスルホンアミド5-[(メチルスルホニル)アミノ]-6-(2,4-ジフルオロフェニルチオ)インダン-1-オンN-[1-オキソ-6-(2,4-ジフルオロフェニルチオ)インダン-5-イル]メタンスルホンアミドチオフロスリドN-{6-[(2,4-ジフルオロフェニル)スルファニル]-1-オキソ-2,3-ジヒドロ-1H-インデン-5-イル}メタンスルホンアミドMethanesulfonamide, N-[6-[(2,4-difluorophenyl)thio]-2,3-dihydro-1-oxo-1H-inden-5-yl]-
SCHEMBL29385521IGA20505BDBM50029603AKOS040741928CS-6783HY-19217T15687L745,337
データベース識別子
- CAS
158205-05-1
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 96.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 580
物理化学的性質
- 沸点
- 495.8 · 495.8±55.0 °C(Predicted)
- 比重(密度)
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Soluble in DMSO
- 酸解離定数(Pka)
- 6 · 6+-.0.20(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
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TargetMol中国（陶术生物）
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