4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide hydrochloride

• ChemBase编号: 73236
• 分子式: C12H20ClN3O
• 平均质量: 257.7597
• 单一同位素质量: 257.12948996
• SMILES: c1(ccc(cc1)CNNC)C(=O)NC(C)C.Cl
• Canonical SMILES: CNNCc1ccc(cc1)C(=O)NC(C)C.Cl
• InChI: InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H
• InChIKey: DERJYEZSLHIUKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide hydrochloride
• IUPAC传统名: procarbazine hydrochloride
• 别名: N-(1-Methylethyl)-4-[(2-methylhydrazinyl)methyl]benzamide hydrochloride; Procarbazine hydrochloride; Matulane; rocarbazine hydrochloride; 4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide hydrochloride; N-(1-Methylethyl)-4-[(2-methylhydrazino)methyl]benzamide Hydrochloride; N-Isopropyl-(2-methylhydrazino)-p-toluamide Hydrochloride; Mutulane; Natulan; Procarbazine Hydrochloride

登记号

• CAS号: 366-70-1
• EC号: 206-678-6
• MDL号: MFCD00072082
• PubChem SID: 162038156
• PubChem CID: 9703

理论计算性质

• Acid pKa: 15.032636
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 0.6326173
• LogD (pH = 7.4): 0.97892106
• Log P: 0.9857342
• 摩尔折射率: 86.9783 cm^3
• 极化性: 25.215479 Å^3
• 极化表面积: 53.16 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; DMSO: ≥18 mg/mL; Methanol; Water
• 外观: Off-White Solid; white to tan powder
• 熔点: 223-226°C
• 疏水性(logP): -0.083

安全信息

• 保存条件: -20°C; -20°C Freezer
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 45-61-22-68
• 安全公开号: 53-36/37-45
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H341-H350-H360
• GHS警示性声明: P201-P281-P308 + P313
• 保存温度: 2-8°C

药理学性质

• 作用靶点: DNA/RNA

产品相关信息

• 纯度: ≥98% (HPLC); 95%
• 成盐信息: hydrochloride
• Empirical Formula (Hill Notation): C12H19N3O·HCl

详细说明

Selleck Chemicals - S1995

Biological Activity:
Procarbazine hydrochloride (Matulane) is a hydrochloride salt form of procarbazine which is a polyfunctional alkylating compound used as an antineoplastic agent. Procarbazine is a cytostatic agent, meaning it strands cells midway through cell division, but it does not actively kill them. Procarbazine interferes with cells at a number of sites to prevent DNA and protein synthesis and mitosis. Procarbazine hydrochloride (Matulane) is used in the treatment of Hodgkin’s lymphoma and other malignant lymphomas including:- lymphosarcoma- reticulosarcoma- Brill-Symmers disease. Because procarbazine hydrochloride (Matulane) works differently to other anticancer agents,Procarbazine hydrochloride (Matulane) may be useful in the treatment of cancers that have not responded to other treatments. [1]References on Procarbazine HCl (Matulane)[1] http://en.wikipedia.org/wiki/Procarbazine, ,

Sigma Aldrich - SML0036

Biochem/physiol Actions
Procarbazine is an antineoplastic alkylating agent widely used in cancer chemotherapy in combination with other compounds. It has multiple mechanisms of action. Procarbazine inhibits protein, RNA and DNA synthesis in addition to being an alkylating agent.

Toronto Research Chemicals - P755400

Antineoplastic.

参考文献

• http://en.wikipedia.org/wiki/Procarbazine
• Rucki, R.J., et al.: Anal. Profiles Drug Subs., 5, 403 (1976)
• Massound, M., et al.: Eur. J. Cancer, 40, 1924 (1976)