기본 정보
- CAS
1055412-47-9- 표준 SMILES
Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(Cl)cc32)[nH]1- InChIKey
XLBQNZICMYZIQT-GHXNOFRVSA-N- 분자식
- C15H13ClN2O
- 평균 분자량
- 272.73 g/mol
- 단동위원소 질량
- 272.0716407
개요
SU5614 is a member of the class of oxindoles that is 5-chlorooxindole in which the two hydrogens at position 3 are replaced by a (3,5-dimethylpyrrol-2-yl)methylidene group. It has a role as a vascular endothelial growth factor receptor antagonist. It is a member of pyrroles, an organochlorine compound and a member of oxindoles.
이름 및 식별자
- 우선 이름
- SU 5614
- IUPAC
- (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
- 영어명
- 5-Chloro-3-[(3,5-dimethylpyrrol-2-yl)methylene]-2-indolinone
- 분자식
- C15H13ClN2O
- 분자량
- 272.73
이름 및 동의어
1055412-47-9su5614SU 5614CID:6536806CHEBI:87159(3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one(3Z)-5-chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylidene)-1,3-dihydro-2H-indol-2-oneRefChem:186187686-026-9SU-5614(Z)-SU5614(Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one
이름 더 보기
CS-1552AC1NS4REAC1NS4RE, 10 mM in DMSO5-chloro-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro-2 H-indol-2-one
5-Chloro-3-[(3,5-dimethylpyrrol-2-yl)methylene]-2-indolinoneMFCD08443928(3Z)-5-Chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one186611-56-3CHEMBL2062155(3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one5-chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-oneorb1223442
데이터베이스 식별자
- CAS
1055412-47-9、186611-56-3- PubChem CID
- 6536806
- ChEMBL
CHEMBL2062155
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 44.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 409
물리화학적 성질
- 끓는 점
- 508.6 · 508.6±50.0 °C(Predicted)
- 밀도
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 20 mg/mL · DMSO: ≥20mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.96 · 11.96±0.20(Predicted)
- 색상
- 오렌지 레드
- InChI
- 1S/C15H13ClN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-7-
- InChIKey
- XLBQNZICMYZIQT-GHXNOFRVSA-N
- SMILES
- Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(Cl)cc23)[nH]1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and Categories
Aquatic Chronic 4 (100%)
Aquatic Chronic 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 53
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도SU5614 is a FMS-like tyrosine kinase 3 (FLT3) inhibitor; selective inhibitor of VEGF and PDGF receptor tyrosine kinases.
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