基本情報
- CAS
7226-77-9- 標準SMILES
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CO- InChIKey
HMUOMFLFUUHUPE-XLPZGREQSA-N- 分子式
- C10H15N3O5
- 平均分子量
- 257.24 g/mol
- 単同位体質量
- 257.10117059
名称と識別子
- 優先名称
- 5-Hydroxymethyldeoxycytidine monophosphate
- IUPAC
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
- 現地名
- 2'-デオキシ-5-(ヒドロキシメチル)シチジン
- 英語名
- 5-(Hydroxymethyl)-2'-deoxycytidine
- 分子式
- C10H15N3O5
- 分子量
- 257.24
名称と別名
7226-77-95-Hydroxymethyldeoxycytidine monophosphatehm-DcmpRefChem:102911Cytidine, 2'-deoxy-5-(hydroxymethyl)-5-Hydroxymethyl-2'-deoxycytidine5-(Hydroxymethyl)-2'-deoxycytidineMFCD098421134-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidin-2(1H)-one4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one2'-deoxy-5-(hydroxymethyl)cytidine4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)-1,2-dihydropyrimidin-2-one
名称をさらに表示
2'-デオキシ-5-(ヒドロキシメチル)シチジン5-hmdC5-hydroxy methyl-2'-dC5-Hydroxymethyl-2''-deoxycytidine4-(HydroxyMethyl)-2'-deoxycytidine2'-Deoxy-5-(hydroxymethyl)cytidine>Cytidine, 2'-deoxy-5-(hydroxyMethyl)-2 '- Deoxy-5- (hydroxymethyl) cytosine
5-Hydroxymethyl-2 inverted exclamation mark -deoxycytidine4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(hydroxymethyl)pyrimidin-2-one5-Hydroxymethyl-dC5-Hydroxymethyldeoxycytidineorb762355SCHEMBL231959CHEMBL597779orb1690311
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 129 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 408
物理化学的性質
- 融点
- 205 °C · 205°C(lit.)
- 沸点
- 575 · 575.0±60.0 °C(Predicted)
- 比重(密度)
- 1.48 g/cm3 · 1.480 g/cm3
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 20 mg/ml; PBS (pH 7.2): 10 mg/ml
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 13.47 · 13.47±0.10(Predicted)
- 色
- White to Light yellow
- InChI
- InChI=1S/C10H15N3O5/c11-9-5(3-14)2-13(10(17)12-9)8-1-6(16)7(4-15)18-8/h2,6-8,14-16H,1,3-4H2,(H2,11,12,17)/t6-,7+,8+/m0/s1
- InChIKey
- HMUOMFLFUUHUPE-XLPZGREQSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=C(CO)C(N)=NC2=O)C[C@@H]1O
- CAS データベース
- 7226 · 7226-77-9
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
- 2934.99.4400
化学と産業
応用分野
説明DNA methylation occurs mainly at the 5’-position of cytosine rings (5-methylcytosine) and occurs almost exclusively in CpG islands. Another epigenetic modification in DNA has been recently identified that involves hydroxymethylation of this same base (5-hydroxymethylcytosine), which potentially offers another level of transcriptional control. 5-(Hydroxymethyl)-2’-deoxycytidine is a modified pyrimidine that is capable of producing interstrand cross-links in double-stranded DNA and has been used to quantify DNA hydroxymethylation levels in biological samples.
上流・下流製品情報
下流製品
サプライヤー72 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
関連反応
2 件
化合物ノート
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