基本情報
- CAS
149965-92-4- 標準SMILES
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)cc1F- InChIKey
BTPARJRXLUUYJW-FQKYAJAOSA-N- 分子式
- C15H21FN2O11
- 平均分子量
- 424.33 g/mol
- 単同位体質量
- 424.11293765
概要
a prodrug that can be converted by the enzyme beta-D-galactosidase to the potent antineoplastic drug 5-fluorouridine; structure given in first source
名称と識別子
- 優先名称
- 5'-O-galactosyl-5-fluorouridine
- IUPAC
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
- 英語名
- 5-Fluorouridine-5'-O-b-D-galactopyranoside
- 分子式
- C15H21FN2O11
- 分子量
- 424.33
名称と別名
149965-92-4Gal-furd5'-O-beta-D-Galactosyl-5-fluorouridine5'-O-Galactosyl-5-fluorouridineRefChem:1008515-Fluorouridine-5'-O-b-D-galactopyranoside5-fluorouridine-5'-o-beta-d-galactopyranosideMFCD067993891-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione5-Fluoro-5'-O-beta-D-galactopyranosyluridine5-Fluorouridine 5'-O-beta-D-galactopyranoside5-Fluorouridine 5'-O-|A-D-galactopyranoside
名称をさらに表示
5-fluoro-5'-O-β-D-galactopyranosyluridine5-Fluorouridine 5''-O--D-galactopyranoside5-Fluorouridine 5'-O-β-D-galactopyranosideUridine, 5-fluoro-5'-O-β-D-galactopyranosyl-5-Fluorouridine-5’-O-beta-D-galactopyranoside
5-Fluorouridine-5/'-O-b-D-galactopyranosideUridine, 5-fluoro-5'-O-beta-D-galactopyranosyl-C15H21FN2O11orb1984753SCHEMBL3832751NF04428DA-70202SY291088
物性
構造計算による物性
- XLogP
- -4.1
- 極性表面積
- 198 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 12
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 679
物理化学的性質
- 比重(密度)
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 7.63 · 7.63±0.10(Predicted)
化学と産業
応用分野
使用5-Fluorouridine-5''-O-b-D-galactopyranoside is a COL-1 monoclonal antibody and β-d-galactosidase kill tumor cells by generation of 5-fluorouridine from a prodrug.
サプライヤー9 社
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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