基本情報
- CAS
69123-94-0- 標準SMILES
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]1- InChIKey
UIYWFOZZIZEEKJ-PXBUCIJWSA-N- 分子式
- C9H11FN2O5
- 平均分子量
- 246.19 g/mol
- 単同位体質量
- 246.06519962
概要
2'-fluoro-5-ethylarabinosyluracil (FAU) has been used in trials studying the treatment of Small Intestine Lymphoma, Stage IV Mantle Cell Lymphoma, Waldenström Macroglobulinemia, Splenic Marginal Zone Lymphoma, and Recurrent Mantle Cell Lymphoma, among others.
名称と識別子
- 優先名称
- 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- 現地名
- 1-(2-デオキシ-2-フルオロ-β-D-アラビノフラノシル)ウラシル
- 英語名
- 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil
- 分子式
- C9H11FN2O5
- 分子量
- 246.19
名称と別名
69123-94-02'-Fluoro-5-ethyl-1-beta-D-arabinofuranosyluracilK7386OMP291-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dioneDTXSID202191921-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:907215DTXCID401416832'-fluoro-5-ethyl-1-beta-D-ara U1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione2'-Fluoro-5-ethylarabinosyluracilFEAU
名称をさらに表示
1-((2R,3S,4R,5R)-3-FLUORO-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1H-PYRIMIDINE-2,4-DIONEAra-2'-F-2'-dU2'-FANA-uridineantiviral anticancer agent2'-Fluoro-2'-deoxy-arabino-Uridine2'-Deoxy-2'-fluoro--D-arabinouridine2-Deoxy-2'-fluoro-β-D-arabinouridine
1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)uracilMFCD008707981-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione1-((2R,3S,4R,5R)-3-FLUORO-4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)PYRIMIDINE-2,4(1H,3H)-DIONE1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dioneFAUUNII-K7386OMP29
物性
構造計算による物性
- XLogP
- -1
- 極性表面積
- 99.1 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 374
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 融点
- 162 °C · 162 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
- 比重(密度)
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Methanol: Soluble
- 酸解離定数(Pka)
- 9.39 · 9.39±0.10(Predicted)
- 外見
- Solid
- 色
- White to off-white
- InChI
- InChI=1/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6+,7-,8-/s3
- InChIKey
- UIYWFOZZIZEEKJ-QOUWCGOQNA-N
- SMILES
- [C@@H]1([C@@H](F)[C@H](O)[C@@H](CO)O1)N1C=CC(=O)NC1=O |&1:0,1,3,5,r|
- CAS データベース
- 69123 · 69123-94-0
化学的性質
化学的特性Colourless solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- hs_code
- 2934999090
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Endogenous or exogenous substances which inhibit the normal growth of human and animal cells or micro-organisms, as distinguished from those affecting plant growth (= PLANT GROWTH REGULATORS).
上流・下流製品情報
下流製品
サプライヤー
読み込み中…
公開中の見積依頼
読み込み中…
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…