中文名称:

冈田(软海绵)酸

中文同义词:

冈田酸;冈田(软海绵)酸;冈田酸钠盐;软海绵酸(-20°C);软海绵酸;黑海棉酸;冈田酸/软海绵酸;软海绵酸(>95.0%,BC)

英文名称:

OKADAIC ACID

英文同义词:

1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoicacid, a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4aR,5R,6S,8R,8aS)-octahydro-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7-methylenespiro[furan-2(;Okadaic acid 35-Demethyl-DTX 1 NSC 677083 35-Demethyldinophysistoxin 1;OA;OKADAIC ACID, PROROCENTRUM CONCAVUM;OKADAIC ACID;35-Demethyldinophysistoxin 1;35-Demethyl-DTX 1;NSC 677083

CAS号:

78111-17-8

分子式:

C44H68O13

分子量:

805

EINECS号:

616-589-8

相关类别:

生化试剂;其他生化试剂;医药原料;化合物;Natural Products;Inhibitor;Signalling;Protein Phosphatase

Mol文件:

78111-17-8.mol

熔点 

164-166 °C

比旋光度 

D20 +21° (c = 0.33 in CHCl3); D25 +25.4° (c = 0.24 in CHCl3)

沸点 

672.95°C (rough estimate)

密度 

1.0795 (rough estimate)

折射率 

1.5940 (estimate)

储存条件 

-20°C

溶解度 

DMSO: ≥1 mg/mL

酸度系数(pKa)

3.87±0.16(Predicted)

形态

translucent film

颜色

translucent

水溶解性 

It is soluble in ethanol (25 mg/ml), DMSO (25 mg/ml), methanol (<1 mg/ml), chloroform, acetone, ethyl acetate, DMF, and dimethylsulfoxide. Insoluble in water, unless first dissolved in organic solvents, such as DMSO or ethanol.

Merck 

13,6891

稳定性

Stable. Light and heat-sensitive. Combustible. Incompatible with strong oxidizing agents.

CAS 数据库

78111-17-8

EPA化学物质信息

1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, .alpha,5-dihydroxy-.alpha.,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4aR,5R,6S,8R,8aS)-octahydro-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7-methylenespiro[furan-2(3H),2(3H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-, (.alpha.R,2S,5R,6R,8S)- (78111-17-8)

生物活性

Okadaic acid 是从 Halichondria 属的黑色海绵中提取的。Okadaic acid 是一种非竞争性，选择性和可逆的丝氨酸/苏氨酸特异性蛋白磷酸酶 1 (PP1)，PP2A 和 PP3 的抑制剂，IC50 分别为 10-15 nM，0.5 nM 和 4 nM。Okadaic acid 通过细胞凋亡消除后生共生体/寄生虫。

靶点

IC50: 10-15 nM (PP1), 0.5 nM (PP2) and 4 nM (PP3)

类别

有毒物品

毒性分级

剧毒

急性毒性

腹腔-小鼠 LD50: 0.192 毫克/公斤

可燃性危险特性

可燃, 火场排出辛辣刺激烟雾

储运特性

库房低温, 通风, 干燥; 与食品原料分开存放

灭火剂

水, 二氧化碳, 干粉, 砂土

危险品标志 

T

危险类别码 

23/24/25-38

安全说明 

26-36/37-45

危险品运输编号 

UN 3462 6.1/PG 1

WGK Germany 

3

RTECS号

AA8227800

F 

10

HazardClass 

6.1(a)

PackingGroup 

II

海关编码 

29321900

毒性

LD50 i.p. in mice: 192 mg/kg (Shibata)