2-플루오로-2′-디옥시아데노신

2'-Deoxy-2-fluoroadenosine

HCID 447864CAS 21679-12-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey: ZWPYUXAXLRFWQC-KVQBGUIXSA-N
분자식: C10H12FN5O3
평균 분자량: 269.23 g/mol
단동위원소 질량: 269.09241742

이름 및 식별자

우선 이름: 2'-Deoxy-2-fluoroadenosine
IUPAC: (2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
현지명: 2-플루오로-2′-디옥시아데노신
영어명: 2'-Deoxy-2-fluoroadenosine
분자식: C10H12FN5O3
분자량: 269.23

이름 및 동의어

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

이름 더 보기

2-플루오로-2′-디옥시아데노신2'-DEOXY-2-플루오로아데노신NSC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 119 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 338

물리화학적 성질

녹는점: 218 °C · 218 °C (dec.)
저장 조건: 2 · 2-8°C, sealed storage, away from moisture and light
물리적 상태: 크리스탈
색상: 흰색에서 황백색까지
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
SMILES: Nc1nc(F)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

wgk: 3
HS 번호: 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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-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.

공급사30 곳

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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