Dexamethasone acetate 乙酸地塞米松

CAS 1177-87-3 MFCD00027407

化学结构图

1177-87-3
SMILES: CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C

化学属性

Mol. FormulaC24H31FO6
Mol. Weight434.50
Melting Point238-240 °C
TSCAYes
Appearance 16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)为白色或类白色结晶性粉末,无臭,味微苦。16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)在丙酮中易溶,在甲醇或乙醇中溶解,在乙醇或氯仿中略溶,在乙醚中极微溶解,在水中不溶。熔点215-227℃。
Refractive index87 °C
Density1.3
Boiling Point579.4±50.0 °C at 760 mmHg

别名和识别编码

Chemical Name21-O-Acetyl Dexamethasone
CAS Number1177-87-3
Synonym Dexamethasone acetate {LY} Dexamethasone acetate Fortecortin dexamethasone acetate dexamethasone acetate, (6alpha,11beta)-isomer {} {LY} Dexamethasone acetate {} {} {LY} Dexamethasone acetate {} {} {} {LY} Dexamethasone acetate {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dexamethasone acetate {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00027407
Beilstein Registry Number2342608
EC Number214-646-8
PubChem Substance ID236702
Merck Number2943
Reaxys-RN2067949
Chemical Name Translation乙酸地塞米松
Wiswesser Line NotationL E5 B666 OV AHTTT&J A1 BF CQ E1 FV1OV1 FQ G1
LabNetwork Molecule IDLN00375294
InChIInChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1
Canonical SMILESC[C@@]1([C@@]2(O)C(COC(C)=O)=O)[C@](C[C@H]2C)([H])[C@@](CCC3=CC4=O)([H])[C@@](F)([C@]3(C=C4)C)[C@@H](O)C1
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分类

  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SA} Alphabetic, Analytical Standards, Analytical/Chromatography, Antibiotics, Chemical Structure, Chromatography, Clinical Standards, D, DA - DH, Others
  • {SNA} Analytical Standards,
  • {SNA} Analytical Standa
  • {SNA} Bioactive Small Molecules,
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Antibiotics, Chemical Structure, Chromatography, Clinical Standards, D,

产品应用

  • Protected Dexamethasone, a glucocorticoid anti-inflammatory agent.

相关文献及参考

  • [2]. Adcock IM, et al. Ligand-induced differentiation of glucocorticoid receptor (GR) trans-repression and transactivation: preferential targetting of NF-kappaB and lack of I-kappaB involvement. Br J Pharmacol. 1999 Jun;127(4):1003-11
  • [3]. Rocksén D, et al. Differential anti-inflammatory and anti-oxidative effects of Dexamethasone and N-acetylcysteine in endotoxin-induced lung inflammation. Clin Exp Immunol. 2000 Nov;122(2):249-56
  • [4]. Roussel D, et al. Dexamethasone treatment specifically increases the basal proton conductance of rat liver mitochondria. FEBS Lett. 2003 Apr 24;541(1-3):75-9.
  • [5]. Li X, et al. Mucoadhesive dexamethasone acetate-polymyxin B sulfate cationic ocular nanoemulsion--novel combinatorial formulation concept. Pharmazie. 2016 Jun;71(6):327-33.
  • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010),
  • Liu, Y., et al.: Anal. Bioanal. Chem., 395, 591 (2009),
  • Merck: 14,2943
  • Merck: 14,2943 Beilstein: 8,IV,

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P352
  • P304+P340
  • P308+P313
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P316
  • P318
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P333+P313
  • P333+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H330 Fatal if inhaled 吸入致命
  • H351 Suspected of causing cancer 怀疑致癌
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
RTECSTU4050000
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xi
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
{h

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1200 ug/kg
SEX/DURATION            : female 12-13 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 :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 23,15,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1 mg/kg
SEX/DURATION            : female 15-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Fertility - abortion
REFERENCE :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 22,735,1971

TYPE OF TEST            : TDLo - Lowest p

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Ocular
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 6 mg/kg
SEX/DURATION            : female 10-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 16,175,1977

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

其他信息

  • 下游产品:9Α-氟-16Α-甲基孕甾-1,4-二烯-11Β,17Α,21-三醇-3,20-二酮-21-磷酸酯哌嗪盐
  • 醋酸地塞米松价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D3628 21-乙酸地塞米松 Dexamethasone 21-Acetate 5G 1420元 2014/06/02 D3628 21-乙酸地塞米松 Dexamethasone 21-Acetate 1G 370元
  • 上游原料:氢氟酸 --> 乙二醇 --> 溴甲烷 --> 孕酮
  • TCI Shanghai:乙酸地塞米松 Dexamethasone 21-Acetate,>;98.0%(LC)(1177-87-3)
  • 方法一:可用16α,17α-环氧孕甾-4-烯-3,11,20-三酮(即16α,17α-环氧-11-酮基黄体酮)经(3-位、20-位酮基)缩酮化、(11-位酮基)还原、消除[9(11)-位脱水形成双键]、(环氧基与甲基溴化镁)加成并水解(形成17α-羟基,16β-甲基)、水解(脱除乙二醇)得17α-羟基-16β-甲基孕甾-4,9(11)-二烯-3,20-二酮,然后经(4、5-位)脱氢(形成双键)、(21-位)碘化、(21-位碘经乙酰氧基)置换,[9(11)-位双键与次溴酸]加成、[9(11)-位]环氧化、9(11)位氟化氢加成后制得该品。
  • 用途一:倍他米松、地塞米松磷酸钠的中间体。用于抗炎和抗过敏,适用于类风湿性关节炎和其他胶原性疾病等。
  • MOL 文件:1177-87-3.mol
  • Sigma Aldrich:1177-87-3(sigmaaldrich)
  • 图谱信息:16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)核磁图( 13 CNMR) 16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)质谱(MS) 16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)核磁图( 1 HNMR) 16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)红外图谱(IR1) 16alpha-甲基-11beta,17alpha,21-三羟基-9alpha-氟孕甾-1,4-二烯-3,20-二酮-21-醋酸酯(1177-87-3)红外图谱(IR2)

系列性分类


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