(1R,2R)-cyclohexane-1,2-diamine; 1,3-dioxa-2-platinacyclopentane-4,5-dione

• ChemBase编号: 72580
• 分子式: C8H14N2O4Pt
• 平均质量: 397.28576
• 单一同位素质量: 397.06014794
• SMILES: [Pt]1OC(=O)C(=O)O1.C1CC[C@H]([C@@H](C1)N)N
• Canonical SMILES: O=C1O[Pt]OC1=O.N[C@@H]1CCCC[C@H]1N
• InChI: InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1
• InChIKey: ZROHGHOFXNOHSO-BNTLRKBRSA-L

名称和登记号

名称

• IUPAC标准名: (1R,2R)-cyclohexane-1,2-diamine; 1,3-dioxa-2-platinacyclopentane-4,5-dione
• IUPAC传统名: (1R,2R)-cyclohexane-1,2-diamine; 1,3-dioxa-2-platinacyclopentane-4,5-dione
• 别名: Oxaliplatin; Eloxatin; [SP-4-2-(1R-trans)]-(1,2-Cyclohexanediamine-N,N′)[ethanedioata(2--)-O,O’]platinum; Oxaliplatin; Oxaliplatin

登记号

• CAS号: 61825-94-3
• MDL号: MFCD00866327
• PubChem SID: 162037505
• PubChem CID: 5310940

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.8559394
• LogD (pH = 7.4): -2.7383268
• Log P: -0.007973737
• 摩尔折射率: 33.952 cm^3
• 极化性: 14.118806 Å^3
• 极化表面积: 52.04 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

• 外观: solid

安全信息

• 保存条件: -20°C
• RTECS编号: TP2275850
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 36/37/38-40-42/43
• 安全公开号: 26-36
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319-H335-H351
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• 保存温度: 2-8°C

药理学性质

• 作用靶点: DNA/RNA synthesis

产品相关信息

• 纯度: 95+%
• 成盐信息: Free Base
• Empirical Formula (Hill Notation): C8H14N2O4Pt

详细说明

Selleck Chemicals - S1224

Research Area: Cancer
Biological Activity:
Oxaliplatin (Eloxatin) is a 1,2-diaminocyclohexane (DACH) carrier ligand-based groups of platinum antitumor agent with IC50 of median 1.3, 6.2 and 1.5 mM for SW480 DLD1, HT29, respectively. Cytotoxicity of platinum agents is believed to result from the formation of platinum-DNA adducts. Eukaryotic cells respond to the presence of oxaliplatin adducts in DNA by activating signal transduction pathways that result in cell cycle arrest, an increase in DNA repair activity and apoptosis. Oxaliplatin was found to be active against C32 and G361 cell lines with IC50 values of 49.48 and 9.07 μM (1 h exposure), 9.47 and 1.30 μM (4 h exposure), and 0.98 and 0.14 μM (24 h exposure), respectively. [1][2][3]

Sigma Aldrich - O9512

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Oxaliplatin is an anti-tumor agent with activity against colorectal cancer; cytotoxicity follows the formation of adducts with DNA.

参考文献

• Nehmé A et al. Br J Cancer. 1999 Mar;79