2-(1-{2-[(benzylsulfanyl)[(chlorocuprio)sulfanyl]methylidene]hydrazin-1-ylidene}ethyl)pyridine

• ChemBase编号: 154391
• 分子式: C15H14ClCuN3S2
• 平均质量: 399.42076
• 单一同位素质量: 397.96136464
• SMILES: C/C(=N\N=C(\SCc1ccccc1)/S[Cu]Cl)/c1ccccn1
• Canonical SMILES: Cl[Cu]S/C(=N\N=C(\c1ccccn1)/C)/SCc1ccccc1
• InChI: InChI=1S/C15H15N3S2.ClH.Cu/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;/h2-10H,11H2,1H3,(H,18,19);1H;/q;;+2/p-2
• InChIKey: MGXCRQNCPJBYKM-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 2-(1-{2-[(benzylsulfanyl)[(chlorocuprio)sulfanyl]methylidene]hydrazin-1-ylidene}ethyl)pyridine
• IUPAC传统名: 2-(1-{2-[(benzylsulfanyl)[(chlorocuprio)sulfanyl]methylidene]hydrazin-1-ylidene}ethyl)pyridine
• 别名: Bis-[chloro[phenylmethyl [1-(2-pyridinyl)ethylidene]hydrazinecarbodithioato-N2,N2′,S1’]-copper]; Cu(II) complex of the Schiff base product of condensation of S-benzyl dithiocarbazate and 2-acetylpyridine; [1-(2-pyridinyl)ethylidene]-Hydrazinecarbodithioic acid, phenylmethyl ester, copper complex; NSC 295642

登记号

• CAS号: 77111-29-6
• PubChem SID: 162248530
• PubChem CID: 10763448

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3757942
• LogD (pH = 7.4): 3.3763924
• Log P: 3.3764
• 摩尔折射率: 93.3229 cm^3
• 极化性: 39.054684 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >5 mg/mL
• 外观: dark green solid

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36/37
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C30H28Cl2Cu2N6S4

详细说明

Sigma Aldrich - N9413

Biochem/physiol Actions
NSC 295642 is a potent inhibitor of cell migration. Cell migration is a basic biological process involved in a range of normal and pathological events, including wound healing, embryonic and tissue development, immune function and inflammation, angiogenesis and tumor metastasis. Therefore, cell migration can be adapted as an important biological tool to monitor several physiological processes as well as development of cancer. Accordingly, a potent inhibitor of cell migration, such as NSC 295642 can elucidate the intrinsic molecular mechanism of many biochemical events.