기본 정보
- CAS
199327-61-2- 표준 SMILES
COc1cc2nc[nH]c(=O)c2cc1OCCCN1CCOCC1- InChIKey
WFUBWLXSYCFZEH-UHFFFAOYSA-N- 분자식
- C16H21N3O4
- 평균 분자량
- 319.36 g/mol
- 단동위원소 질량
- 319.15320616
이름 및 식별자
- 우선 이름
- 7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
- IUPAC
- 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
- 영어명
- 7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one
- 분자식
- C16H21N3O4
- 분자량
- 319.36
이름 및 동의어
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-oneEC 429-400-77-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-oneRefChem:546718429-400-7199327-61-27-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one7-methoxy-6-(3-morpholinopropoxy)quinazolin-4(3H)-oneGefitinib Impurity 5Gefitinib Impurity 12MFCD12760130Gefitinib EP Impurity A
이름 더 보기
Gefitinib-8quinazolin-4(3H)Gefitinib iMpurity FGefitinib Impurity 14Gefitinib Impurity 17Gefintinib Impurity 5Getitinib interMediateGefitinib impurities132Gefitinib impurities135InterMediate of Gefitinib
7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-UNII-R9YH59H93M7-Methoxy-6-(3-morpholinopropoxy)quinazolin-4(1h)-oneR9YH59H93M7-methoxy-6-(3-morpholin-4-ylpropoxy)-1H-quinazolin-4-oneAC-22622CS-0131955
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 72.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 426
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Fragrance
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 233 · 233-236 °C
- 끓는 점
- 519.5 · 519.5±60.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.1 · 7.10±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 제약
- InChI
- InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)
- InChIKey
- WFUBWLXSYCFZEH-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OCCCN3CCOCC3)C(OC)=C2)C(=O)NC=1
화학적 성질
안전 및 규제
GHS 분류
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Danger
H360D ***: May damage the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
유해성 정보
Regulatory Information
Hazard Traits - Reproductive Toxicity
REACH registered substance: 7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one (EC: 429-400-7)
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
Repr. 1B
안전 데이터
- wgk
- WGK 2
- HS 번호
- 2933599590
- Hazard Classifications
- Aquatic Chronic 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Household ProductsCosmetics product ingredient: 7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one; [containing = 0.5 % formamide (EC No 200-842-0)]
응용 분야
개요7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one is a pharmaceutical intermediate used in the preparation of gefitinib, an orally active selective inhibitor of the epidermal growth factor receptor tyrosine kinase, an enzyme that regulates intracellular signalling pathways that associated with the proliferation and survival of cancer cells.
상·하류 제품 정보
하류 제품
공급사100 곳
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
관련 반응
4건
화합물 노트
불러오는 중…