Deoxycorticosterone Acetate 醋酸去氧皮质酮

CAS 56-47-3 MFCD00003660

化学结构图

56-47-3
SMILES:

化学属性

Mol. FormulaC23 H32 O4
Mol. Weight372.5
Melting Point156.0 to 162.0 deg-C
Appearance +168°-+176°(二氧六环)、+179°-+184°(1%,乙醇);乙醇溶液在240nm波长处有最大吸收。本品溶于氯仿(1:1.5)、丙酮(1:30)、乙醇 (1:50),微溶于乙醚(1:170),几乎不溶于水。 白色结晶性粉末,无臭、无味。在空气中稳定。Mp158-161℃;比旋光度[α] D 20
SolubilitySoluble in methanol, ethanol (6 mg/mL at 25 °C), chloroform (100 mg/mL), and DMSO (11 mg/mL at 25 °C). Insoluble in water.
Refractive index175 ° (C=1, Dioxane)

别名和识别编码

Chemical NameDeoxycorticosterone Acetate
CAS Number56-47-3
Alfabeta NameDIOXOPREGNENYLACETATE 320421-----,
MDL NumberMFCD00003660
Synonym ######## 11-DEOXYCORTICOSTERONE ACETATE 11-Desoxycorticosterone acetate; 21-Acetoxy-4-pregnene-3,20-dione; 21-Hydroxy-4-pregnene-3,20-dione 21-acetate; 4-Pregnen-21-ol-3,20-dione 21-acetate; Cortexone acetate 11-deoxycorticosterone21-acetate 11-desoxycorticosterone acetate 11-去氧皮质酮乙酸酯 21-乙酰氧基孕甾-4-烯-3,20-二酮 21-羟基孕甾-4-烯-3,20-二酮-21-醋酸酯 11-去氧皮质酮乙酸酯 21-乙酰氧基孕甾-4-烯-3,20-二酮 21-羟基孕甾-4-烯-3,20-二酮-21-醋酸酯 21-羟基孕酮-21-乙酸酯 DOC 乙酸酯 乙酸脱氧肾上腺皮质固酮 孕甾-4-烯-21-醇-3,20-二酮-21-醋酸酯 脱氧皮质酮醋酸酯 21-ACETOX 21-Acetoxy-3,20-diketopregn-4-ene 21-Acetyloxypregn-4-ene-3,20-dione 21-HYDR 21-HYDROXY-4-PREGNENE-3,20-DIONE 21-ACETATE 21-Hydroxypregn-4-ene-3,20-dione 21-acetate 21-乙酰氧基孕甾-4-烯-3,20-二酮 21-羟基孕甾-4-烯-3,20-二酮-21-醋酸酯 4-PREGNEN-21-OL-3,20-DIONE ACETATE 4-Pr
PubChem Substance ID24894065
Beilstein Registry Number2570798
EC Number200-275-9
Chemical Name Translation醋酸去氧皮质酮
Merck Number2901
Wiswesser Line NotationL E5 B666 OV MUTJ A F FV1OV1
LabNetwork Molecule IDLN00159825
Reaxys-RN2570798
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分类

  • {SNA} Cell Signaling and Neuroscience, Corticosteroid, Cytokines, Growth Factors and Hormones, Hormones, Steroid Hormones, 细胞生物学
  • {SNA} Cell Biology, Cell Signaling and Neuroscience, Corticosteroid, Cytokines, Growth Factors and Hormones, Hormones, Steroid Hormones
  • {Chemicalbook} 生物化学品: 生化试剂: 激素
  • Cell Biology, Cell Signaling and Neuroscience, Corticosteroid, Cytokines, Growth Factors and Hormones, Hormones, Steroid Hormones
  • {SA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules
  • {SNA} Bioactive Small Molecule Alphabetical Index, Corticosteroid, Cytokines, Growth Factors and Hormones, D-DIF,

产品应用

  • Adrenocortical/mineralocorticoid Steroid.

相关文献及参考

  • Quigley, J., et al.: Clin. Exper. Pharmacol. Physiol., 36, 724 (2009),
  • Merck 14 ,2901
  • Beil. 8 ,IV,2195
  • FT-NMR 1 (3), 602:C / Structure Index 1 , 460:D:5

安全信息

Warnings IRRITANT
WGK Germany3
RTECSHG0525000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
UN Number 2811 UN 2811
Storage condition +4°C 储存温度 2-8°C 储存温度-20°C
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 520 mg/kg/13W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 83,14,1953

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 16 mg/kg
SEX/DURATION            : male 2 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
REFERENCE :
   ANENAG Annales d'Endocrinologie.  (Masson Editeur, 120 Blvd. Saint-Germain,
   F-25280 Paris Cedex 06, France)  V.1-    1939-  Volume(issue)/page/year:
   24(Suppl 3),1,1963

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 316 mg/kg
SEX/DURATION            : female 56 day(s) pre-mating
                          female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 120,238,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 224 mg/kg
SEX/DURATION            : female 56 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 120,238,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE

其他信息

  • 下游产品:21-羟基-5α-孕甾(烷)-3,20-二酮
  • MSDS 信息:21-Hydroxy-4-pregnene-3,20-dione 21-acetate(56-47-3).msds
  • Sigma Aldrich:56-47-3(sigmaaldrich)
  • TCI Shanghai:乙酸去氧皮质酮 Deoxycorticosterone Acetate,>;98.0%(LC)(56-47-3)
  • 用途一:生化研究,肾上腺皮质激素类药物,具有抗炎、抗过敏等作用。
  • Deoxycorticosterone acetate是一种类固醇激素,用于肌肉注射,是肾上腺皮质类固醇的代替疗法。
  • 上游原料:四氢呋喃 --> 氧化钙 --> 乙酸钾 --> 孕酮 --> 无水丙酮
  • 醋酸去氧皮质酮
  • 参考质量标准:含量达96.0%-104.0%,mp157-161℃;比旋光度[α] 20 D +179°-+184°;吸光度(A)0.43-0.45(0.001%,240nm);检测氟化物、干燥失重及灰分等杂质含量。
  • 方法一:黄体酮在四氢呋喃和甲醇混合溶液中与氧化钙和碘发生碘代反应,再与醋酸钾在无水丙酮中反应成酯,最后精制而得。
  • 用途二:羟孕酮琥酯钠的中间体。
  • MOL 文件:56-47-3.mol

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