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86401-95-8价格

相关CAS号：
86401-95-8 134526-05-9
79512-61-1 2921-57-5
85198-27-2 77074-42-1
86401-80-1 53-36-1
2375-03-3 38680-83-0

86401-95-8

86401-95-8结构式
86401-95-8结构式

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中文名 甲基泼尼松龙乙丙酸酯
英文名 Methylprednisolone aceponate
中文别名 6-Alpha-甲基泼尼松龙醋丙酯
醋丙甲泼尼龙
(6Α,11Β)-21-(乙酰氧基)-11-羟基-6-甲基-17-(1-氧代丙氧基)孕甾-1,4-二烯-3,20-二酮
醋丙酸甲基泼尼松龙
英文别名 Aceponato de metilprednisolona [Spanish]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6α,11β)-
(6a,11b)-21-(Acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Advantan
Methylprednisoloni aceponas [Latin]
SH-440
Aceponate de methylprednisolone [French]
Methylprednisolone aceponate
[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
(6α,11β)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate
(6α,11β)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate
11b,17,21-Trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-Acetate 17-Propionate
描述 醋酸甲基泼尼松龙(ZK 91588)是一种糖皮质激素和抗炎药,具有微弱的全身效应。乙酰甲泼尼松龙是一种选择性糖皮质激素受体配体。乙酰甲泼尼龙可用于湿疹和其他炎症性皮肤疾病的研究[1][2][3]。
相关类别
体外研究 醋酸甲基泼尼松龙抑制胶原酶启动子活性 (在 海拉细胞中)、脂多糖诱导的 IL-12p40分泌 (在人 PBMC公司中) 和植物凝集素诱导的 干扰素-γ分泌 (在人 PBMC公司中),集成电路50分别为 9.3、16.8、15.2 nM[3]。醋酸甲基泼尼松龙激活 毫米电视启动子和 塔特活性,第50周分别为 21.8和 20.5nM[3]
体内研究 醋酸甲基泼尼松龙(局部应用, 50μ,巴豆油引起的伊文蓝水肿模型) 具有抗炎作用,国际50为 0.0015%,全身副作用低[1]. 醋酸甲基泼尼松龙(0.0001%-0.1%局部应用) 在小鼠和大鼠的刺激性接触性皮炎中抑制水肿形成,第50版为 0.002%[3]。 动物模型：刺激性接触性皮炎小鼠和大鼠[3]剂量：0.0001%-0.1%给药：局部应用,小鼠10µL,大鼠20µL。结果：显著抑制耳道炎症。
参考文献

[1]. Ruzicka T. Methylprednisolone aceponate in eczema and other inflammatory skin disorders -- a clinical update. Int J Clin Pract. 2006 Jan;60(1):85-92.  

[2]. H.J. Zentel, et al. Preclinical evaluation of a new topical corticosteroid methylprednisolone aceponate. 1994. 3 (s1), S32-S38.

[3]. Schäcke H, et al. Characterization of ZK 245186, a novel, selective glucocorticoid receptor agonist for the topical treatment of inflammatory skin diseases. Br J Pharmacol. 2009 Oct;158(4):1088-103.  

密度 1.2±0.1 g/cm3
沸点 595.8±50.0 °C at 760 mmHg
分子式 C27H36O7
分子量 472.570
闪点 193.1±23.6 °C
精确质量 472.246094
PSA 106.97000
LogP 4.01
蒸汽压 0.0±3.8 mmHg at 25°C
折射率 1.560
分子结构

1、 摩尔折射率：123.88

2、 摩尔体积（cm3/mol）：383.1

3、 等张比容（90.2K）：1022.2

4、 表面张力（dyne/cm）：50.6

5、 极化率（10-24cm3）：49.11
计算化学

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:7

4.可旋转化学键数量:7

5.互变异构体数量:6

6.拓扑分子极性表面积107

7.重原子数量:34

8.表面电荷:0

9.复杂度:980

10.同位素原子数量:0

11.确定原子立构中心数量:8

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1
更多

急性毒性LD50鼠(g/kg)：＞3皮下注射；＞2口服。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU3686900
CHEMICAL NAME :
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)- , (6-alpha,11-beta)-
CAS REGISTRY NUMBER :
86401-95-8
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C27-H36-O7
MOLECULAR WEIGHT :
472.63

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3103,1991 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Kidney, Ureter, Bladder - incontinence
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3015,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Endocrine - other changes
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3015,1991 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7280 ug/kg/52W-C
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3039,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3920 ug/kg/14W-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3021,1991 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1620 ug/kg
SEX/DURATION :
male 60 day(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Paternal Effects - other effects on male Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3063,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3300 ug/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3073,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
11 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3073,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
27 mg/kg
SEX/DURATION :
female 17-22 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 19,3089,1991

甲基泼尼松龙(Ⅰ)和原丙酸三乙酯，在吡啶铺甲苯磺酸盐存在下，在二甲基甲酰胺和苯的混合溶剂中酯化，生成相应的二酯(Ⅱ)。(Ⅱ)和乙酸钠-乙酸在甲醇水溶液中，部分水解，得到丙酸酯(Ⅲ)，最后用乙酐和吡啶进行乙酰化，得到醋丙甲泼尼龙。86401-95-8 preparation


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