기본 정보
- 표준 SMILES
O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O- InChIKey
GIXWDMTZECRIJT-UHFFFAOYSA-N- 분자식
- C22H14O9
- 평균 분자량
- 422.3 g/mol
- 단동위원소 질량
- 422.06378203
개요
Aurintricarboxylic acid is a member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'. It has a role as a fluorochrome, an insulin-like growth factor receptor 1 antagonist and a histological dye. It is a monohydroxybenzoic acid, a tricarboxylic acid and a member of quinomethanes. It is a conjugate acid of an aurintricarboxylate.
이름 및 식별자
- 우선 이름
- Aurintricarboxylic Acid
- IUPAC
- 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
- 영어명
- Aurintricarboxylic acid
- 분자식
- C22H14O9
- 분자량
- 422.34
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4431-00-9- PubChem CID
- 2259
- DTXSID
DTXSID9063453- ChEMBL
CHEMBL275938- ChEBI
CHEBI:87397- UNII
- NP9O8E29QW
- EC Number
- 224-628-1
- Nikkaji
- J33.393J
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 841
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 300 °C · 300 °C(lit.)
- 끓는 점
- 458.99 °C · 458.99°C (rough estimate)
- 밀도
- 1.386 · 1.3860 (rough estimate)
- 굴절률
- 1.623 · 1.6230 (estimate)
- 저장 조건
- 15 C · +15C to +30C
- 용해도
- 1 · 1 남 NH4OH: 10 mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 2.2 · 2.20±0.20(Predicted)
- 색상
- 진한 빨간색에서 갈색까지
- 수용성
- 물에 불용성.
- BRN
- 2228904 · 2228904
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- 1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
- InChIKey
- GIXWDMTZECRIJT-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc(ccc1O)C(\c2ccc(O)c(c2)C(O)=O)=C3\C=CC(=O)C(=C3)C(O)=O
- EPA
- 5 · Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy- (4431-00-9)
화학적 성질
deep red coarse crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU4790000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도Aurintricarboxylic acid is employed as a powerful inhibitor of cellular processes, including apoptosis, that are dependent on the formation of protein-nucleic acid complexes. It binds to a FGF and reduces its angiogenic activity. Aurintricarboxylic Acid has been shown to inhibit apoptotic cell death in various cell types induced by a variety of factors. It Inhibits protein-nucleic acid interactions. It stimulates the tyrosine phosphorylation of MAP kinases.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.
관련 반응
현재 필터 조건에 해당하는 반응 기록이 없습니다.
연결된 노트
불러오는 중…