기본 정보
- CAS
388082-81-3- 표준 SMILES
CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1- InChIKey
MNNXRVSQOABRRP-UHFFFAOYSA-N- 분자식
- C28H25ClFN5O3S2
- 평균 분자량
- 598.1 g/mol
- 단동위원소 질량
- 597.1071379
개요
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-4-quinazolinamine is a member of quinazolines.
이름 및 식별자
- 우선 이름
- N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine
- IUPAC
- N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine
- 현지명
- GW583340이염화물
- 영어명
- GW583340 dihydrochloride
- 분자식
- C28H25ClFN5O3S2
- 분자량
- 598.11
이름 및 동의어
388082-81-3GW583340 dihydrochloride6-Thiazolylquinazoline 6CHEMBL453376N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amineN-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(2-(((2-(methylsulfonyl)ethyl)amino)methyl)thiazol-4-yl)quinazolin-4-amineSCHEMBL114539BDBM5444orb2893615CHEBI:93409MNNXRVSQOABRRP-UHFFFAOYSA-NT22827L
이름 더 보기
GW583340이염화물GW 5833404-[3-CHLORO-4-[(3-FLUOROPHENYL)METHOXY]P4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[[[2-(methylsulfonyl)ethyl]amino]methyl]-4-thiazolyl]-4-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenylamino]-6-[2-[[2-(methylsulfonyl)ethyl]aminomethyl]-4-thiazolyl]quinazoline dihydrochlorideN-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[[[2-(methylsulfonyl)ethyl]amino]methyl]-4-thiazolyl]-4-quinazolinaminedihydrochloride
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 902
물리화학적 성질
- 녹는점
- 259.8 · 259.8-262.4 °C(lit.)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 9 mg/mL · DMSO: 9mg/mL
- 물리적 상태
- 고체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
공급사3 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
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