기본 정보
- CAS
1742-95-6- 표준 SMILES
Nc1ccc2c3c(cccc13)C(=O)NC2=O- InChIKey
SSMIFVHARFVINF-UHFFFAOYSA-N- 분자식
- C12H8N2O2
- 평균 분자량
- 212.2 g/mol
- 단동위원소 질량
- 212.0585775
개요
4-amino-1,8-naphthalimide is a dicarboximide and a benzoisoquinoline.
이름 및 식별자
- 우선 이름
- 4-Amino-1,8-naphthalimide
- IUPAC
- 6-aminobenzo[de]isoquinoline-1,3-dione
- 현지명
- 4-아미노-1,8-나프탈이미드
- 영어명
- 4-AMINO-1,8-NAPHTHALIMIDE
- 분자식
- C12H8N2O2
- 분자량
- 212.2
이름 및 동의어
4-Amino-1,8-naphthalimide1742-95-64-Aminonaphthalimide6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE6-aminobenzo[de]isoquinoline-1,3-dione4-Aminonaphthalene-1,8-dicarboximideDFP 14-amino1,8-naphthalimide6-Amino-1H-benz(de)isoquinoline-1,3(2H)-dioneS529AR2S8BDTXSID6061941CHEBI:40071
이름 더 보기
4-아미노-1,8-나프탈이미드dfp14-ANITIMTEC-BB SBB0034254-amino-naphthalimid4-Amino-1,8-naphthalimide,98%4-AMINO-1,8-NAPHTHALIMIDE 98%
D-1226-AMINO-BENZO(DE)ISOQUINOLINE-1,3-DIONE6-aminobenzo(de)isoquinoline-1,3-dioneRefChem:517404DTXCID3035559217-110-16-Amino-1H-benzo[de]isoquinoline-1,3(2H)-dione1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-
데이터베이스 식별자
- CAS
1742-95-6- PubChem CID
- 1720
- DTXSID
DTXSID6061941
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 72.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 342
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 360 °C · 360 °C
- 끓는 점
- 352.04 °C · 352.04°C (rough estimate)
- 밀도
- 1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 주황색 고체.
- 산도 계수 (pKa)
- 9.53 · 9.53±0.20(Predicted)
- 색상
- Yellow to brown
- 수용성
- 354 mg/L · 354mg/L at 25℃
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
- InChIKey
- SSMIFVHARFVINF-UHFFFAOYSA-N
- SMILES
- Nc1ccc2C(=O)NC(=O)c3cccc1c23
- LogP
- 1.08 · 1.08
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (47%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 83 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: 4-aminonaphthalene-1,8-dicarboximide (EC: 217-110-1)
1H-Benzdeisoquinoline-1,3(2H)-dione, 6-amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (47%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DE4081000
- HS 번호
- 29251995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.
용도 및 제조
General Manufacturing Information1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-: ACTIVE
응용 분야
개요The poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. 4-amino-1,8-Naphthalimide (4-ANI) is an inhibitor of PARP (IC50 = 180 nM). It blocks radiation-induced PARP in cancer cells, potentiating the cytotoxicity of γ-radiation, although it is not cytotoxic in the absence of radiation. 4-ANI is used to study the role of PARP activity in various cell systems.
용도The poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis, particularly in response to reactive oxygen and nitrogen species. 4-amino-1,8-Naphthalimide (4-ANI) is an inhibitor of PARP (IC50 = 180 nM). It blocks radiation-induced PARP in cancer cells, potentiating the cytotoxicity of γ-radiation, although it is not cytotoxic in the absence of radiation. 4-ANI is used to study the role of PARP activity in various cell systems.
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