1,4-diamino-9,10-dihydroanthracene-9,10-dione

• ChemBase编号: 109808
• 分子式: C14H10N2O2
• 平均质量: 238.2414
• 单一同位素质量: 238.07422757
• SMILES: Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
• Canonical SMILES: Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N
• InChI: InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
• InChIKey: FBMQNRKSAWNXBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-diamino-9,10-dihydroanthracene-9,10-dione
• IUPAC传统名: disperse violet 1
• 别名: 1,4-二氨基蒽醌; 1,4-DIAMINOANTHRAQUINONE TECHNICAL GRADE; 1,4-Diaminoanthraquinone; 1,4-Diaminoanthracene-9,10-dione; 1,4-Diamino-9,10-anthraquinone; Acetate Red Violet R; Acetoquinone Light Heliotrope NL; Acetylon Fast Red Violet R; Akasperse Violet 3R; Amacel Heliotrope R; Cibacet Violet 2R; C.I. 61100; NSC 63807; NSC 7833; Krisolamine; Violet 14447; 1,4-Diaminoanthraquinone

登记号

• CAS号: 128-95-0
• EC号: 204-922-6
• MDL号: MFCD00001224
• Beilstein号: 2216556
• PubChem SID: 162095357; 24862847
• PubChem CID: 31420

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.556284
• LogD (pH = 7.4): 2.5607963
• Log P: 2.5608542
• 摩尔折射率: 70.5518 cm^3
• 极化性: 25.582048 Å^3
• 极化表面积: 86.18 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Dark Violet Solid
• 熔点: ~260 °C; 254-257°C; 260-265°C; 265-269 °C(lit.)
• 闪点: 340 °C; 644 °F

安全信息

• 保存条件: Amber Vial, Refrigerator
• RTECS编号: CB6300000
• 欧盟危险性物质标志: X
• 德国WGK号: 2
• 危险公开号: 22
• 安全公开号: 36
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS危险声明: H301
• GHS警示性声明: P264-P270-P301+P310-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥90% (HPLC); 90%; 95+%; 97%; tech. 90%
• 级别: TECHNICAL; technical; technical grade
• Empirical Formula (Hill Notation): C14H10N2O2

详细说明

MP Biomedicals - 05212648

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 367834

包装
100 g in poly bottle

Toronto Research Chemicals - D416080

An anthraquinone derivative that is a potent and selective protein kinase CK1 delta inhibitor. Studies suggest that it has potential solar cell applications. Used in studies as a potential competitive non-peptidic inhibitor of HIV-1 proteinase.

参考文献

• Cozza, G. et al.: Bioorg. Med. Chem. Lett., 18, 5672 (2008)
• Brovelli, F. et al.: Polym. Bull., 58, 521 (2008)
• Brinkworth, R.I. et al.: Biochim. Biophys. Acta, Prot. Struct. Mol. Enzymol., 1253, 5 (2008)