(E)-2'-DEOXY-2'-(플루오로메틸렌)시티딘

Tezacitabine

HCID 6435808CAS 130306-02-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)/C2=C\F)c(=O)n1
InChIKey
GFFXZLZWLOBBLO-ASKVSEFXSA-N
분자식
C10H12FN3O4
평균 분자량
257.22 g/mol
단동위원소 질량
257.08118403

이름 및 식별자

우선 이름
Tezacitabine
IUPAC
4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
현지명
(E)-2'-DEOXY-2'-(플루오로메틸렌)시티딘
영어명
(E)-2'-DEOXY-2'-(FLUOROMETHYLENE) CYTIDINE
분자식
C10H12FN3O4
분자량
257.22

이름 및 동의어

TezacitabineMDL-1017312'-Deoxy-2'-(fluoromethylene)cytidinetezacitabinaDTXSID10156446Cytidine, 2'-deoxy-2'-(fluoromethylene)-, (2E)-171176-43-5DTXSID001690204-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-onetezacitabinum4-amino-1-((2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2-dihydropyrimidin-2-oneMDL-101,731
이름 더 보기
(E)-2'-DEOXY-2'-(플루오로메틸렌)시티딘tezaciabine(E)-2'-Deoxy-2'-(fluoromethylene)cytidine(E)-2'-DEOXY-2'-(FLUOROMETHYLENE) CYTIDINE2'-deoxy-2'-(fluoromethylene)-(2E)CytidineCytidine, 2'-deoxy-2'-(fluoromethylene)-, (2'E)-
RefChem:188974DTXCID5091511DTXCID7078937AnhydrousCytidine, 2'-deoxy-2'-(fluoromethylene)-, monohydrate, (2'E)-FMD-CFMdCTezacitabine monohydrate

데이터베이스 식별자

CAS
130306-02-4、171176-43-5
PubChem CID
6435808
DTXSID
DTXSID10156446
ChEMBL
CHEMBL2105467、CHEMBL3989496
ChEBI
CHEBI:230773
UNII
7607Y95N9S
Nikkaji
J579.163D、J898.249J

물성

구조 계산 물성

XLogP
-2.3
극성 표면적
108 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
18

물리화학적 성질

끓는 점
512.5 · 512.5±60.0 °C(Predicted)
밀도
1.71 · 1.71±0.1 g/cm3(Predicted)
저장 조건
-80 °C · -80°C
용해도
200 mg/mL · DMSO : 200 mg/mL (777.54 mM; Need ultrasonic)
물리적 상태
Solid
산도 계수 (pKa)
12.5 · 12.50±0.60(Predicted)

화학 및 산업

약리 정보

Mechanism of Action · 1건

Phosphorylated by cellular kinases, tezacitabine is converted into its active diphosphate and triphosphate metabolites. Tezacitabine diphosphate binds to and irreversibly inhibits the activity of the enzyme ribonucleotide reductase (RNR), which may result in the inhibition of DNA synthesis in tumor cells and tumor cell apoptosis. Tezacitabine triphosphate acts as a substrate for DNA polymerase, further compromising DNA replication. This agent is relatively resistant to metabolic deactivation by cytidine deaminase. RNR catalyzes the conversion of ribonucleoside 5'-diphosphates to deoxyribonucleoside 5'-diphosphates necessary for DNA synthesis and is overexpressed in many tumor types.

MeSH Pharmacological Classification · 3건

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

응용 분야

용도Tezacitabine is used in the synthesis of inhibitors of ribonucleoside diphosphate reductase.

상·하류 제품 정보

공급사11 곳

攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]

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