6(5H)-Phenanthridinone (HCID 1853)

名称と識別子

優先名称: 6(5H)-Phenanthridinone
IUPAC: 5H-phenanthridin-6-one
現地名: 6(5H)-フェナントリジノン
英語名: 6(5H)-Phenanthridone
分子式: C13H9NO
分子量: 195.22

名称と別名

6(5H)-Phenanthridinone1015-89-0Phenanthridin-6(5H)-onePhenanthridone6-Phenanthridinol6-Phenanthridinone6-PhenanthridonePhenantridoneAVQ13AUB5JNSC-11021NSC-40943NSC-61083

名称をさらに表示

5,6-ジヒドロフェナントリジン-6-オン6(5H)-フェナントリジノンベンゾ[c]キノリン-6(5H)-オンフェナントリジン-6(5H)-オン6-フェナントリドン6-(5H)-フェナントリジノン6(5H)-フェナントリジノン, 96%PHENANTHRIDINONE6(5H)-PhenantridinonePJ 97ANSC 11021NSC 40943NSC 61083WD 99-004344

DTXSID0074423CHEBI:75292RefChem:860541DTXCID1032640213-804-35H-phenanthridin-6-one6-(5H)-phenanthridinonephenanthridin-6-ol

データベース識別子

CAS: 1015-89-0
PubChem CID: 1853
DTXSID: DTXSID0074423
ChEMBL: CHEMBL45245
ChEBI: CHEBI:75292
UNII: AVQ13AUB5J
EC Number: 213-804-3
Nikkaji: J69.574B

物性

構造計算による物性

XLogP: 2.5
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 263

実験および物理化学的性質

Physical DescriptionPowder; [Alfa Aesar MSDS]

物理化学的性質

融点: 290 · 290-292 °C(lit.)
沸点: 435 °C · 435 °C
比重(密度): 1.23 · 1.230±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 1 mg/mL; · DMF: 1mg/mL; DMF:PBS (pH 7.2) (1:5): 0.16mg/mL
酸解離定数(Pka): 13.27 · 13.27±0.20(Predicted)
外見: powder to crystal
色: White to Light yellow to Light orange
水溶解度: DMSO (5 mg/ml) に可溶。水に不溶。
BRN: 140641 · 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
CAS データベース: 1015 · 1015-89-0(CAS DataBase Reference)
NISTの化学物質情報: 6 · 6(5H)-phenanthridinone(1015-89-0)
EPAの化学物質情報: 6 · 6-Phenanthridinone (1015-89-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (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 exposure; Respiratory 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.

危険有害性情報

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
rtecs: SG0370000
hs_code: 29337900
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological ClassificationChemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES.

用途と製造

UsesA coal tar derivative; [ChemIDplus]

応用分野 · 2 件

使用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.

一般的な説明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.

上流・下流製品情報

上流原料

下流製品

2-ニトロ-6(5H)-フェナントリジノン

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

常熟市海天医药原料有限公司13913622609

補足説明

定義ChEBI: A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.