Emitefur

HCID 65910CAS 110690-43-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOCn1cc(F)c(=O)n(C(=O)c2cccc(C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)c2)c1=O
InChIKey: WTSKMKRYHATLLL-UHFFFAOYSA-N
분자식: C28H19FN4O8
평균 분자량: 558.5 g/mol
단동위원소 질량: 558.11869179

개요

Emitefur is a small molecule drug. Emitefur has a monoisotopic molecular weight of 558.12 Da.

이름 및 식별자

우선 이름: Emitefur
IUPAC: (6-benzoyloxy-3-cyano-2-pyridinyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
영어명: EMITEFUR
분자식: C28H19FN4O8
분자량: 558.47

이름 및 동의어

Emitefur110690-43-2BOF-A2Last-F9I50NF4AQ2Benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl esterDTXSID801493603-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 6-(benzoyloxy)-3-cyano-2-pyridinyl esteremitefurumRefChem:9209293 (3-(6-benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracilDTXCID8071851

이름 더 보기

BOF-A-2EMITEFUR USP/EP/BP3-[[3-(Ethoxymethyl)-5-fluoro-3，6-dihydro-2，6-dioxo-1(2H)-pyrim-idinyl]carbonyl]benzoic acid 6-(benzoyloxy)- 3-cyano-2-pyridinyl ester3-[[3-(Ethoxymethyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-1-yl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridyl esterBenzoic acid, 3-[[3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl]carbonyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester3-[[[3-(Ethoxymethyl)-5-fluoro-1,2,3,6-tetrahydro-2,6-dioxopyrimidin]-1-yl]carbonyl]benzoic acid 6-(benzoyloxy)-3-cyano-2-pyridinyl ester

3-(3-(6-Benzoyloxy-3-cyrano-2-pyridyloxycarbonyl)benzoyl)-1-(ethoxymethyl)-5-fluorouracil((Ethoxymethyl-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic Acid, 6-(Benzoyloxy)-3-cyano-2-pyridinyl Ester(2) m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic Acid, 2-Ester with 2,6-Dihydroxynicotinonitrile Benzoate (Ester)(6-benzoyloxy-3-cyanopyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracilEmitefur [INN]m-((3-(Ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)benzoic acid, 2-ester with 2,6-dihydroxynicotinonitrile benzoate (ester)CCRIS 6984

데이터베이스 식별자

CAS: 110690-43-2
PubChem CID: 65910
DTXSID: DTXSID80149360
ChEMBL: CHEMBL2104592
UNII: 9I50NF4AQ2
Nikkaji: J365.812K

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 156 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 10
무거운 원자 수: 41
형식 전하: 0
복잡도: 1,110

물리화학적 성질

녹는점: 162 · 162-164°
끓는 점: 755.1 · 755.1±70.0 °C(Predicted)
밀도: 1.52 · 1.52±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -5.94 · -5.94±0.40(Predicted)

안전 및 규제

안전 데이터

독성: LD50 in mice, male rats, female rats (mg/kg): >5000, 1850, 1934 orally (Kiroshita)

화학 및 산업

약리 정보

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

응용 분야

용도EMITEFUR is used for antineoplastic, it is used in the treatment of stomach, colorectal, breast, nonsmall cell lung, and pancreatic cancers (inhibits DNA synthesis and RNA function).

상·하류 제품 정보

상류 원료

공급사7 곳

LGM Pharma1-(800)-881-8210 · [email protected]

湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]

연결된 노트

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