基本情報
- CAS
90301-64-7- 標準SMILES
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1CCBr- InChIKey
ARAPHVJYXVDNPN-YIZRAAEISA-N- 分子式
- C11H15BrN2O5
- 平均分子量
- 335.15 g/mol
- 単同位体質量
- 334.01643
概要
RN not in Chemline 2/86; RN from Toxline
名称と識別子
- 優先名称
- 5-(2-Bromoethyl)-2'-deoxyuridine
- IUPAC
- 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
名称と別名
BEUdR90301-64-75-(2-Bromoethyl)-2'-deoxyuridineRefChem:10158790301-65-85-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneCHEMBL2114969DTXSID509204665-(2-Bromo-ethyl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dioneUridine, 5-(2-bromoethyl)-2'-deoxy-5-(2-Bromoethyl)-1-(2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one5-(2-Bromoethyl)-1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
名称をさらに表示
5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
データベース識別子
- CAS
90301-64-7、90301-65-8- PubChem CID
- 128987
- DTXSID
DTXSID50920466- ChEMBL
CHEMBL2114969
物性
構造計算による物性
- XLogP
- -0.5
- 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
- 5
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 414
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.
Compounds that inhibit cell production of DNA or RNA.
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