描述 |
Phorbol 12,13-dibutyrate (Phorbol dibutyrate) 是一种 PKC 激活剂和有效的皮肤肿瘤启动子。 |
||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
相关类别 |
|
||||||||||||
靶点 |
PKC[1]
|
||||||||||||
体外研究 |
佛波醇12,13-二丁酸酯(佛波醇二丁酸酯)(1毫米)激活PKC并抑制OK细胞中的Na/K-ATP酶转运活性[3]。 |
||||||||||||
溶解度 |
In Vitro:
DMSO : ≥ 125 mg/mL (247.72 mM) * “≥” means soluble, but saturation unknown. In Vivo:
1.请依序添加每种溶剂:?10% DMSO ?? 40% PEG300 ?? 5% Tween-80 ?? 45% saline Solubility: ≥ 2.08 mg/mL (4.12 mM); Clear solution 2.请依序添加每种溶剂:?10% DMSO ?? 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.08 mg/mL (4.12 mM); Clear solution 3.请依序添加每种溶剂:?10% DMSO ?? 90% corn oil Solubility: ≥ 2.08 mg/mL (4.12 mM); Clear solution
|
||||||||||||
储备液 |
|
||||||||||||
SMILES |
O=C1C(C)=C[C@@]2([H])[C@]3(O)[C@@]([C@@](C4(C)C)([H])[C@@]4(OC(CCC)=O)[C@H](OC(CCC)=O)[C@H]3C)([H])C=C(CO)C[C@]12O |
||||||||||||
参考文献 |
|
密度 | 1.27g/cm3 |
---|---|
沸点 | 623.4?C at 760mmHg |
分子式 | C28H40O8 |
分子量 | 504.61200 |
闪点 | 199.3?C |
精确质量 | 504.27200 |
PSA | 130.36000 |
LogP | 2.63210 |
外观性状 | powder | clear, light yellow, film |
折射率 | 1.574 |
储存条件 | ?20°C |
水溶解性 | H2O: 30?μM |
计算化学 |
1、 疏水参数计算参考值(XlogP):2 2、 氢键供体数量:3 3、 氢键受体数量:8 4、 可旋转化学键数量:9 5、 拓扑分子极性表面积(TPSA):130 6、 重原子数量:36 7、 表面电荷:0 8、 复杂度:1030 9、 同位素原子数量:0 10、 确定原子立构中心数量:8 11、 不确定原子立构中心数量:0 12、 确定化学键立构中心数量:0 13、 不确定化学键立构中心数量:0 14、 共价键单元数量:1 |
个人防护装备 |
dust mask type N95 (US);Eyeshields;Gloves |
---|---|
危害码 (欧洲) |
Xi: Irritant; |
风险声明 (欧洲) |
36/37/38 |
安全声明 (欧洲) |
S26-S36 |
危险品运输编码 | 2928 |
WGK德国 | 3 |
RTECS号 | EK7767000 |
包装等级 | II |
危险类别 | 6.1(a) |
A-kinase Anchoring Protein 79/150 Recruits Protein Kinase C to Phosphorylate Roundabout Receptors. J. Biol. Chem. 290 , 14107-19, (2015)
Anchoring proteins direct protein kinases and phosphoprotein phosphatases toward selected substrates to control the efficacy, context, and duration of neuronal phosphorylation events. The A-kinase anc…
|
|
Charge density influences C1 domain ligand affinity and membrane interactions. ChemBioChem. 15(8) , 1131-44, (2014)
The C1 domain, which represents the recognition motif on protein kinase C for the lipophilic second messenger diacylglycerol and its ultrapotent analogues, the phorbol esters, has emerged as a promisi…
|
|
Differential 12-O-Tetradecanoylphorbol-13-acetate-induced activation of rat mammary carcinoma susceptibility Fbxo10 variant promoters via a PKC-AP1 pathway. Mol. Carcinog. 54(2) , 134-47, (2015)
Rat mammary carcinoma susceptibility 5a1 (Mcs5a1), which is concordant to human MCS5A1 breast cancer risk locus, mediates susceptibility by a non-mammary cell-autonomous mechanism associated with T ce…
|
|
PDBU |
PHORBOL 12,13-DIBUTYRATE,4BETA |
MFCD00036783 |
Phorbol 12,13-dibutanoate |
Phorbol 12,13-dibutyrate,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9,9a-diylbutanoicacidester |
Phorbol 12,13-dibutyrate |