2'Fluoro-2'-deoxyuridine

HCID 150851

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 784-71-4
표준 SMILES: O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIKey: UIYWFOZZIZEEKJ-XVFCMESISA-N
분자식: C9H11FN2O5
평균 분자량: 246.19 g/mol
단동위원소 질량: 246.06519967

이름 및 식별자

우선 이름: 2'Fluoro-2'-deoxyuridine
IUPAC: 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
영어명: 2'-Fluoro-2'-deoxyuridine
분자식: C9H11FN2O5
분자량: 246.19

이름 및 동의어

784-71-42'Fluoro-2'-deoxyuridineY2YC903QW82FDURefChem:9084532'fluoro-2'-deoxyuridine (2FDU)2'-Deoxy-2'-fluorouridine2'-Fluoro-2'-deoxyuridine2'-Deoxy-2'-fluoro-L-uridineUridine, 2'-deoxy-2'-fluoro-MFCD01317293C9H11FN2O5

이름 더 보기

2-FdU2′-Deoxy-2′-fluorouridine2'-FU2'-FUDR2'-F-2'-dUFioluridine2'-FLUORO-D-URIDINE2'-Fluoro-2'-deoxyur2'-F-2'-deoxyuridine2 '- Fluorodeoxyuridine

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione622785-69-7HG11631-((2R,3R,4R,5R)-3-FLUORO-4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)PYRIMIDINE-2,4(1H,3H)-DIONE1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione1-(2-DEOXY-2-FLUORO-.BETA,-D-RIBOFURANOSYL)URACIL1-(2-Deoxy-2-fluoropentofuranosyl)-4-hydroxypyrimidin-2(1H)-oneUNII-Y2YC903QW8

데이터베이스 식별자

CAS: 784-71-4
PubChem CID: 150851
DTXSID: DTXSID50999738
ChEMBL: CHEMBL2385615
UNII: Y2YC903QW8
EC Number: 810-296-0
Nikkaji: J338.152H

물성

구조 계산 물성

XLogP: -1
극성 표면적: 99.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 374

물리화학적 성질

녹는점: 147 to · 147.0 to 153.0 °C
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
굴절률: 53 ° · 53 ° (C=0.3, H2O)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됩니다.
물리적 상태: 가루
산도 계수 (pKa): 9.39 · 9.39±0.10(Predicted)
색상: 흰색에서 황백색까지
수용성: soluble in water
InChI: InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChIKey: UIYWFOZZIZEEKJ-XVFCMESISA-N
SMILES: OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](F)[C@@H]1O

화학적 성질

White to almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Danger

H228 (50%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 2 (50%)

안전 데이터

HS 번호: 29389090
risk_code: 20/21/22-40
hazard_code: Xn
safety_code: 22-36/37/39

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.

응용 분야

용도2'-Fluoro-2'-deoxyuridine is used as a component incorporated into therapeutic oligonucleotides to combat prostate and breast cancer.

상·하류 제품 정보

상류 원료

2'-Deoxy-5'-O-DMT-2'-fluorouridine Uridine, 2'-deoxy-2'-fluoro-3',5'-bis-O-(tetrahydro-2H-pyran-2-yl)-3',5'-Di-O-acetyl-2'-deoxy-2'-fluorouridine Uridine, 3',5'-bis-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-메틸알콜 COPPER ATOMIC SPECTROSCOPY STANDARD

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

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

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

INTATRADE GmbH+49 3493/605464 · [email protected]

北京颖喏生物医药科技有限公司15600141006 · [email protected]

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