6(5H)-Phenanthridinone

phenanthridin-6(5H)-one · PHENANTHRIDINONE · 6(5H)-Phenantridinone · PJ 97A · NSC 11021 · NSC 40943 · NSC 61083 · WD 99-004344

https://huagongshe.com/ko/chemical/1853

식별자 및 물리적 특성

CAS No.	1015-89-0
분자식	C13H9NO
평균 분자량	195.22 g/mol
단동위원소 질량	195.06841391 g/mol
SMILES	O=c1[nH]c2ccccc2c2ccccc12
InChIKey	RZFVLEJOHSLEFR-UHFFFAOYSA-N
PubChem CID	1853
ChEMBL	CHEMBL45245
ChEBI	CHEBI:75292
EC No.	213-804-3
DTXSID	DTXSID0074423

화학 및 물리적 성질

XLogP	2.5
극성 표면적	29.1
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	15
형식 전하	0
복잡도	263
Physical Description	Powder[Alfa Aesar MSDS]
녹는점	290-292 °C(lit.)
끓는 점	435 °C
밀도	1.230±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
용해도	DMF: 1mg/mLDMF:PBS (pH 7.2) (1:5): 0.16mg/mL
pKa(산도 계수)	13.27±0.20(Predicted)
물리적 상태	powder to crystal
색상	White to Light yellow to Light orange
용해도	DMSO(5 mg/ml)에 용해됩니다. 물에 불용성.
BRN	140641
InChI	InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKey	RZFVLEJOHSLEFR-UHFFFAOYSA-N
SMILES	C1=C2C(NC(=O)C3=C2C=CC=C3)=CC=C1
NIST	6(5H)-phenanthridinone(1015-89-0)
EPA	6-Phenanthridinone (1015-89-0)

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 요약	May cause irritation[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	SG0370000
관세 코드	29337900
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

용도

6-Phenanthridone is a poly(ADP-ribose) polymerase (PARP) inhibitor with immunosuppressive effects. 6-Phenanthridone has been shown to inhibit concanavalin A-induced lymphocyte proliferation.

일반 설명

6-(5H)-Phenanthridinone is an inhibitor of poly(ADP-ribose)polymerase (PARP)-1 activity. The ability of 6-(5H)-phenanthridinone to potentiate the effect of ionizing radiation on tumour cells was evaluated. Action of 6-(5H)-phenanthridinone, one of the most potent PARP inhibitor, on RDM4 murine lymphoma cells in culture was evaluated.