2-フルオロ-2'-デオキシアデノシン

2'-Deoxy-2-fluoroadenosine

HCID 447864
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基本情報

CAS
21679-12-9
標準SMILES
Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
ZWPYUXAXLRFWQC-KVQBGUIXSA-N
分子式
C10H12FN5O3
平均分子量
269.23 g/mol
単同位体質量
269.09241742

名称と識別子

優先名称
2'-Deoxy-2-fluoroadenosine
IUPAC
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
現地名
2-フルオロ-2'-デオキシアデノシン
英語名
2'-Deoxy-2-fluoroadenosine
分子式
C10H12FN5O3
分子量
269.23

名称と別名

2'-deoxy-2-fluoroadenosine21679-12-92-FLUORO-2'-DEOXYADENOSINE2T63DT4KWUNSC-114093CHEBI:39723RefChem:80257633-655-1Adenosine,2'-deoxy-2-fluoro-2-fluorodeoxyadenosine5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OLCHEMBL1229920
名称をさらに表示
2-フルオロ-2'-デオキシアデノシンNSC 114093Metronidazole Impurity 192-Fluoro-2'-deoxyadenosine 96%2 '- deoxy-2' - fluoroadenosine
(2R,3S,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol2FDAdenosine, 2'-deoxy-2-fluoro-(2R,3S,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol2-fluoro-2'deoxyadenosineUNII-2T63DT4KWUSCHEMBL976990

データベース識別子

CAS
21679-12-9
PubChem CID
447864
ChEMBL
CHEMBL1229920
ChEBI
CHEBI:39723
UNII
2T63DT4KWU
EC Number
633-655-1
Nikkaji
J457.796E

物性

構造計算による物性

XLogP
0.3
極性表面積
119 Ų
水素結合供与体数
3
水素結合受容体数
8
回転可能結合数
2
重原子数
19

物理化学的性質

融点
218 °C · 218 °C (dec.)
貯蔵温度
2 · 2-8°C, sealed storage, away from moisture and light
外見
crystals
色
White to off-white
InChI
1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
ZWPYUXAXLRFWQC-KVQBGUIXSA-N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk
3
hs_code
2934999090
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

化学と産業

応用分野 · 1 件

使用2-Fluoro-2’-deoxyadenosine is an analog tested to the susceptibility of clinical metronidazole-resistant Trichomonas vaginalis. Also, it is one of two purine nucleoside that forms a suicide system as a powerful killing and bystander effects on tumor cells.

サプライヤー30 社

Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
湖南瑞威尔生物科技有限公司15608648206 13297919155 · [email protected]

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