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首页 分子通 16alpha-羟基泼尼松龙

16alpha-羟基泼尼松龙 | 13951-70-7

物质功能分类

原料药 - 激素及调节内分泌功能类药 - 肾上腺皮质激素类药

分子结构分类

有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
中文名称
16alpha-羟基泼尼松龙
中文别名
11a和16b,17,21-四羟基孕甾-1,4-TIENE-3,20-二酮；16-羟基泼尼松龙；16Α-羟基-泼尼松龙；布地奈德杂质A；布地奈德水解物；16a-羟基泼尼松龙；16A-羟基泼尼松龙；16α-羟基泼尼松龙
英文名称
desonide
英文别名
16α-hydroxyprednisolone；16a-Hydroxyprednisolone；(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one；16-hydroxyprednisolone；16alpha-hydroxyprednisolone；(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-6H-cyclopenta[a]phenanthren-3-one；(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7, 8, 9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one；(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
16alpha-羟基泼尼松龙化学式
CAS
13951-70-7
化学式
C21H28O6
mdl
——
分子量
376.45
InChiKey
SEKYBDYVXDAYPY-ILNISADRSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点：
    235-238°C
  • 沸点：
    591.5±50.0 °C(Predicted)
  • 密度：
    1.38±0.1 g/cm3(Predicted)
  • 溶解度：
    可溶于DMSO（轻微）、甲醇（轻微、加热）
  • LogP：
    0.8 at 25℃

计算性质

  • 辛醇/水分配系数(LogP)：
    1.2
  • 重原子数：
    27
  • 可旋转键数：
    2
  • 环数：
    4.0
  • sp3杂化的碳原子比例：
    0.71
  • 拓扑面积：
    115
  • 氢给体数：
    4
  • 氢受体数：
    6

安全信息

  • 海关编码：
    2937210000
  • 储存条件：
    -20°C 冰箱

SDS

SDS：3bbc20f915f04a9a8306661b2b680838
查看
Material Safety Data Sheet
Section 1. Identification of the substance
Product Name: 16Alpha-hydroxyprednisolone
Synonyms:
Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
Ingredient name: 16Alpha-hydroxyprednisolone
CAS number: 13951-70-7
Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.
Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:
Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C21H28O6
Molecular weight: 376.4
Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.
Section 11. Toxicological information
No data.
Section 12. Ecological information
No data.
Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
Non-harzardous for air and ground transportation.
Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

根据提供的信息，我总结了关于泼尼松龙的一些重要特性：

化学结构与性质：
  • 化学名称：泼尼松龙是一种甾体激素。
  • 结构特点：具有11位羟基的特征（即其在C11位置有一个羟基）。
  • 物理形态：白色或类白色的结晶性粉末。
功能特性：
  • 药理作用：它属于中效糖皮质激素，具有显著的抗炎和抗过敏的作用。值得注意的是，与泼尼松相比，它在水盐代谢方面的影响较小。
  • 应用领域：主要用作合成奈德类药物（如曲安奈德、布地奈德等）的原料药中间体。
相关物质：
  • 去炎舒松（氟氢可的松）是泼尼松龙的一种衍生物，它在抗炎方面表现出比泼尼松更强的效果。
  • 地塞米松和倍他美松也是由泼尼松龙衍生而来，并且它们在药理作用上有着显著特点。例如，地塞米松具有更强的抗炎效果但水钠潴留作用较小；而倍他美松的局部应用形式（如乳膏、喷雾等）可以提供有效的皮肤治疗。
衍生物：
  • 去炎舒松是泼尼松龙经过9α氟化及16α羟基化的产物，表现出比泼尼松更强的抗炎活性。
  • 地塞米松和倍他美松作为16甲基和9α氟取代衍生物，在抗炎作用上表现得更为突出。
临床应用：
  • 泼尼松龙及其衍生物广泛用于治疗炎症性疾病、自身免疫疾病等。它们通过抑制炎症反应减轻症状。
  • 不同的剂型（如口服片剂、吸入剂、外用乳膏）适用于不同的治疗需求，确保药物能够有效地作用于需要的位置和部位。
注意事项：
  • 在使用泼尼松龙及其衍生物时应注意其可能带来的副作用，包括但不限于神经刺激性反应、食欲增加及肌肉消耗等。因此，在治疗过程中需密切监测患者的健康状况并根据医嘱调整剂量。

希望以上信息对你有所帮助！如果还有具体问题或需要进一步了解的内容，请随时告知。

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文献信息

  • GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF
    申请人：AbbVie Inc.
    公开号：US20190167804A1
    公开（公告）日：2019-06-06
    Provided herein are glucocorticoid receptor agonist immunoconjugates, glucocorticoid receptor agonists, and methods of using the same.
    提供的是糖皮质激素受体激动剂免疫偶联物，糖皮质激素受体激动剂，以及使用它们的方法。
  • [EN] GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF<br/>[FR] AGONISTE DU RÉCEPTEUR DES GLUCOCORTICOÏDES ET IMMUNOCONJUGUÉS DE CELUI-CI
    申请人：ABBVIE INC
    公开号：WO2017210471A1
    公开（公告）日：2017-12-07
    Provided herein are glucocorticoid receptor agonist immunoconjugates, glucocorticoid receptor agonists, and methods of using the same, e.g., to treat autoimmune or inflammatory diseases.
    提供的是糖皮质激素受体激动剂免疫偶联物、糖皮质激素受体激动剂以及使用它们的方法，例如，用于治疗自身免疫性或炎症性疾病。
  • [EN] ANTI-INFLAMMATORY GLUCOCORTICOIDS<br/>[FR] GLUCOCORTICOÏDES ANTI-INFLAMMATOIRES
    申请人：GLAXO GROUP LTD
    公开号：WO2005028495A1
    公开（公告）日：2005-03-31
    A compound of formula (I) wherein R1 and R2 are the same or different and each represents hydrogen, halogen or a methyl group; R3 represents H, Cl, F, OH OR OC(O)R6; R4 represents hydrogen or methyl, R5 represents -(CH2)n-CH=CH)m-Cycl or -(CH2)n-(CH=CH)m-Ar or cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cycloheptyl or cyclooctyl; n represents 0, 1 or 2; m represents 0 or 1; R6 represents H, C1-8alkyl; and formula (b) represents a single or a double bond; including pharmaceutically acceptable esters, amides and carbamates thereof, salts thereof, solvates thereof, and solvates of such pharmaceutically acceptable esters, amides, carbamates and salts.
    一种具有式（I）的化合物，其中R1和R2相同或不同，每个代表氢、卤素或甲基；R3代表H、Cl、F、OH或OC（O）R6；R4代表氢或甲基，R5代表-(CH2)n-CH=CH)m-Cycl或-(CH2)n-(CH=CH)m-Ar或环丙基、环丁基、环戊基、环己基、环庚基或环辛基；n代表0、1或2；m代表0或1；R6代表H、C1-8烷基；和式（b）代表单键或双键；包括其药学上可接受的酯、酰胺和氨基甲酸酯，其盐，其溶剂合物，以及这种药学上可接受的酯、酰胺、氨基甲酸酯和盐的溶剂合物。
  • [EN] BENZYLPHOSPHATE AND SUBSTITUTED BENZYLPHOSPHATE PRODRUGS FOR TRE TREATMENT OF PULMONARY INFLAMMATION<br/>[FR] PROMEDICAMENTS DE BENZYLPHOSPHATE ET DE BENZYLPHOSPHATE SUBSTITUE UTILISES DANS LE TRAITEMENT D'UNE INFLAMMATION PULMONAIRE
    申请人：CORUS PHARMA
    公开号：WO2005063777A1
    公开（公告）日：2005-07-14
    A prodrug of a corticosteroid, lidocaine or related local anesthetic composition for formulation for delivery by aerosolization to inhibit inflammation in asthmatic lungs is described. The prodrug is preferably formulated in a 5 ml solution of a quarter normal saline having pH between 5.0 and 7.0 for the treatment of respiratory tract inflammation by an aerosol having mass medium average diameter predominantly between 1 to 5 µ produced by nebulization or dry powder inhaler.
    描述了一种糖皮质激素、利多卡因或相关局部麻醉剂的前药，用于通过雾化途径投递的制剂，以抑制哮喘患者肺部的炎症。该前药最好以5毫升四分之一生理盐水溶液的形式制剂，其pH值介于5.0和7.0之间，用于通过雾化或干粉吸入器产生的质量中等平均直径主要在1至5微米之间的气溶剂治疗呼吸道炎症。
  • [EN] NOVEL PROCESS FOR PREPARATION OF GLUCOCORTICOID STEROIDS<br/>[FR] NOUVEAU PROCÉDÉ DE PRÉPARATION DE STÉROÏDES DE TYPE GLUCOCORTICOÏDE
    申请人：CORAL DRUGS PVT LTD
    公开号：WO2016120891A1
    公开（公告）日：2016-08-04
    The present invention discloses a process for the preparation of 16, 17-acetals of pregnane derivatives having formula (I) wherein each substituent is independently selected from; R1 is H or CH3; R2 is C1-C6 linear or branched alkyl, alkynyl group or cycloalkyl group; aryl or heteroaryl group; or R1 and R2 combine to form saturated, unsaturated C3-C6 cyclic or heterocyclic ring; R3 and R4 are same or different and each independently represents H or halogen; R5 is -OH or –OCOR wherein R represents H or C1-C6 linear, branched or cyclic alkyl group that may be substituted.
    本发明揭示了一种制备16,17-孕烷衍生物的16,17-缩醛的方法，其具有式(I)的结构，其中每个取代基独立地选择自; R1为H或CH3; R2为C1-C6直链或支链烷基，炔基或环烷基; 芳基或杂环芳基; 或R1和R2结合形成饱和的、不饱和的C3-C6环或杂环环; R3和R4相同或不同，每个独立地表示H或卤素; R5为-OH或-OCOR，其中R表示H或C1-C6直链、支链或环烷基，可能被取代。
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