5-エチニル-2'-デオキシウリジン

5-Ethynyl-2'-deoxyuridine

HCID 472172

基本情報

CAS: 61135-33-9
標準SMILES: C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIKey: CDEURGJCGCHYFH-DJLDLDEBSA-N
分子式: C11H12N2O5
平均分子量: 252.22 g/mol
単同位体質量: 252.07462149

概要

5-ethynyl-2'-deoxyuridine is a pyrimidine 2'-deoxyribonucleoside having eniluracil as the nucleobase. It is functionally related to an eniluracil.

名称と識別子

優先名称: 5-Ethynyl-2'-deoxyuridine
IUPAC: 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
現地名: 5-エチニル-2'-デオキシウリジン
英語名: 5-ETHYNYL-2'-DEOXYURIDINE
分子式: C11H12N2O5
分子量: 252.22

名称と別名

5-Ethynyl-2'-deoxyuridine61135-33-92'-Deoxy-5-ethynyluridineUridine, 2'-deoxy-5-ethynyl-G373S00W2JDTXSID20976652RefChem:102591DTXCID1014040225-Ethynyl-2'-dUEdU (5-ethynyl-2'-deoxyuridine)5-Ethynyl-dUrdMFCD01675687

名称をさらに表示

5-エチニル-2'-デオキシウリジン2'-デオキシ-5-エチニルウリジンabs9124EYdU5-E-dUUridine,2Aids072372Aids-0723725-Ethynyl-dU-deoxyuridine

EdU (ethynyldeoxyuridine)5-EdU5-ethynyl-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione5-Ethynyl-2'-deoxyuridine(EdU)EDUAC-32360EdU, 5-EdU, 2'-Deoxy-5-ethynyluridine5-Ethynyl-2'-deoxyuridine, (EdU), AldrichCPR

データベース識別子

CAS: 61135-33-9
PubChem CID: 472172
DTXSID: DTXSID20976652
ChEMBL: CHEMBL222932
ChEBI: CHEBI:232486
UNII: G373S00W2J
EC Number: 804-162-0
Nikkaji: J59.519E

物性

構造計算による物性

XLogP: -1.3
極性表面積: 99.1 Å²
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: 3
重原子数: 18
形式電荷: 0
複雑度: 463

物理化学的性質

融点: 199 °C · 199°C(lit.)
比重(密度): 1.55 · 1.55±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
溶解性: DMSO に可溶 (最大 10 mg/ml)。
酸解離定数(Pka): 8.29 · 8.29±0.10(Predicted)
外見: 粉
色: 白またはオフホワイト
安定性: -20 °C · -20°C の DMSO 溶液で最大 2 か月間保存できます。
InChI: InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey: CDEURGJCGCHYFH-DJLDLDEBSA-N
SMILES: OC[C@H]1O[C@@H](N2C=C(C#C)C(=O)NC2=O)C[C@@H]1O
CAS データベース: 61135 · 61135-33-9

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。

GHS分類

GHS Classification · 4 件

Danger

H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesMuta. 1B (100%)

安全データ

wgk: WGK 3
rtecs: YU7510000
hs_code: 29349990
risk_code: 46-61
hazard_code: T
safety_code: 53-45-24/25
Hazard Classifications: Muta. 1BRepr. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用5-Ethynyl-2’deoxyuridine is a extensively used nucleoside analog used as a probe for DNA synthesis. However, 5-Ethynyl-2’deoxyuridine is a toxic anti-metabolite, which potentially causes DNA instabi liy, necrosis and cell-cycle arrest, therefore it is often used for short-term DNA synthesis in tissue culture and living organisms where prolonged cell survival is not required.

上流・下流製品情報

上流原料

Uridine, 2'-deoxy-5-iodo-, 3',5'-bis(trifluoroacetate) (9CI)Uridine, 2'-deoxy-5-[(trimethylsilyl)ethynyl]-

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

化合物ノート

読み込み中…

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基本情報

CAS: 61135-33-9
標準SMILES: C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIKey: CDEURGJCGCHYFH-DJLDLDEBSA-N
分子式: C11H12N2O5
平均分子量: 252.22 g/mol
単同位体質量: 252.07462149

概要

5-ethynyl-2'-deoxyuridine is a pyrimidine 2'-deoxyribonucleoside having eniluracil as the nucleobase. It is functionally related to an eniluracil.