倍他米松戊酸酯 | 2152-44-5

• 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: 倍他米松戊酸酯
• 中文别名: 戊酸倍他米松；倍他米松戊酸盐；7戊酸倍他米松
• 英文名称: betamethasone-valerate
• 英文别名: Betamethasone 17-valerate；Betamethasone Valerate；[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
• CAS: 2152-44-5
• 化学式: C₂₇H₃₇FO₆
• 分子量: 476.586
• InChiKey: SNHRLVCMMWUAJD-SUYDQAKGSA-N

物化性质

• 熔点：
  183-184°
• 比旋光度：
  D +77° (dioxane)
• 沸点：
  598.9±50.0 °C(Predicted)
• 密度：
  1.1174 (estimate)
• 溶解度：
  几乎不溶于水，易溶于丙酮和二氯甲烷，溶于乙醇（96%）。
• 碰撞截面：
  214 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S24/25
• 危险类别码：
  R48
• 海关编码：
  2932999099
• 危险品运输编号：
  UN 2811 6.1/PG 3
• WGK Germany：
  2
• RTECS号：
  TU3835000
• 包装等级：
  I
• 危险类别：
  4.3
• 储存条件：
  将温度存储在2-8°C范围内。

SDS

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Section 1. Chemical Product and Company Identification
Betamethasone valerate Catalog
BE185
Common Name/
Number(s).
Trade Name
CAS# 2152-44-5
Manufacturer
RTECS TU3835000
SPECTRUM QUALITY PRODUCTS INC.
TSCA TSCA 8(b) inventory: No
products were found.
Commercial Name(s) Not available.
CI# Not available.
Synonym 9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
IN CASE OF EMERGENCY
valerate
Chemical Name Not available.
Not available. CALL [phone]
Chemical Family
Chemical Formula C27H37FO6
SPECTRUM QUALITY PRODUCTS INC.

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Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3) STEL (mg/m3) CEIL (mg/m3)
Name CAS # % by Weight
1) Betamethasone valerate 2152-44-5 100
Toxicological Data Betamethasone valerate:
on Ingredients ORAL (LD50): Acute: 4067 mg/kg [Rat].

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Section 3. Hazards Identification
Potential Acute Health Effects Very hazardous in case of ingestion. Hazardous in case of skin contact (sensitizer), of inhalation. Slightly
hazardous in case of skin contact (irritant), of eye contact (irritant).
Potential Chronic Health Very hazardous in case of ingestion.
Effects Hazardous in case of skin contact (sensitizer), of inhalation.
Slightly hazardous in case of skin contact (irritant), of eye contact (irritant).
CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
The substance is toxic to lungs, mucous membranes.
Repeated or prolonged exposure to the substance can produce target organs damage.
Betamethasone valerate

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
least 15 minutes. Cold water may be used. WARM water MUST be used. Get medical attention if irritation
occurs.
Skin Contact In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated
clothing and shoes. Cover the irritated skin with an emollient. Wash clothing before reuse. Thoroughly clean
shoes before reuse. Get medical attention.
Serious Skin Contact Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical
attention.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious Inhalation Not available.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention if
symptoms appear.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash Points Not available.
Flammable Limits Not available.
Products of Combustion These products are carbon oxides (CO, CO2), halogenated compounds.
Fire Hazards in Presence of Not available.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
of Various Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on Not available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Betamethasone valerate

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not ingest. Do not breathe dust.
Avoid contact with skin. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable
respiratory equipment. If ingested, seek medical advice immediately and show the container or the label.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area.

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spill to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (Crystalline solid.) Odor Odorless.
Not available.
Taste
Molecular Weight 476.59 g/mole
White.
Color
Not available.
pH (1% soln/water)
Boiling Point Decomposes.
Melting Point 183.5°C (362.3°F)
Critical Temperature Not available.
Specific Gravity Not available.
Not applicable.
Vapor Pressure
Vapor Density Not available.
Not available.
Volatility
Odor Threshold Not available.
Water/Oil Dist. Coeff. Not available.
Ionicity (in Water) Not available.
Dispersion Properties See solubility in water, methanol, acetone.
Solubility Soluble in methanol, acetone.
Very slightly soluble in cold water.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Instability Temperature Not available.
Conditions of Instability Not available.
Incompatibility with various Not available.
substances
Betamethasone valerate
Corrosivity Non-corrosive in presence of glass.
Special Remarks on Not available.
Reactivity
Special Remarks on Not available.
Corrosivity
Polymerization Will not occur.

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Section 11. Toxicological Information
Routes of Entry Inhalation. Ingestion.
Toxicity to Animals Acute oral toxicity (LD50): 4067 mg/kg [Rat].
Chronic Effects on Humans Causes damage to the following organs: lungs, mucous membranes.
Other Toxic Effects on Very hazardous in case of ingestion.
Humans Hazardous in case of skin contact (sensitizer), of inhalation.
Slightly hazardous in case of skin contact (irritant).
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on Not available.
Chronic Effects on Humans
Special Remarks on other Not available.
Toxic Effects on Humans

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Section 12. Ecological Information
Ecotoxicity Not available.
Not available.
BOD5 and COD
Possibly hazardous short term degradation products are not likely. However, long term degradation products may
Products of Biodegradation
arise.
Toxicity of the Products The products of degradation are more toxic.
of Biodegradation
Not available.
Special Remarks on the
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
Identification
Special Provisions for Not applicable.
Transport
Betamethasone valerate
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California
Proposition 65
Warnings
Other Regulations OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
WHMIS (Canada) CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
Other Classifications
DSCL (EEC) R43- May cause sensitization by skin
contact.
Health Hazard
HMIS (U.S.A.) 2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent. Wear appropriate respirator
when ventilation is inadequate.
Betamethasone valerate

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

倍他米松戊酸酯主要用于皮肤类炎症的外用治疗，能够抑制和减轻瘙痒、红肿等症状，适用于湿疹、牛皮癣和皮炎等病症。它属于高效皮质激素，具有良好的吸收性和较小的副作用。

生物活性

Betamethasone Valerate 是一种中等强效的糖皮质激素类固醇，具备抗炎及免疫抑制特性。

靶点

Target	Value
Glucocorticoid Receptor

体内研究

• Betamethasone valerate (10 mg; 5 minutes; applied to the irritated site with a micro spatula) ointment 擦于受损部位，可以抑制约 50% 的耳部水肿且不引起胸腺萎缩。
• Betamethasone-17-valerate ointment (50 mg) 可以抑制同种被动皮肤过敏反应。

实验动物模型

• 动物模型：体重 60-70 g 的雌性 Sprague-Dawley 大鼠（croton oil edema 实验）
• 剂量：10 mg
• 给药方法：用微 spatula 涂抹于受损部位；5 分钟后观察
• 结果：抑制约 50% 的耳部水肿且不引起胸腺萎缩

倍他米松戊酸酯具有显著的激素和抗炎作用。

反应信息

• 作为反应物：
  描述：

  倍他米松戊酸酯 以 吡啶 、 丙酮 为溶剂， 反应 8.5h， 生成 (17R)-5'-butyl-9α-fluoro-11β-hydroxy-16β-methyl-4'-propylthio-spiro-3,3'-dione
  参考文献：
  名称：

  局部抗炎药的研究。三，合成17种α-酰氧基-9α-氟-11β-羟基-16β-甲基-1,4-孕二烯-3,20-二酮21-硫代衍生物和相关化合物。

  摘要：

  合成了一系列9-α-氟-11β，17α-二羟基-16β-甲基-1,4-孕二烯-3、20-二酮17-酯的21-硫代衍生物和相关化合物，并将其评估为局部抗炎药代理商。这些化合物是由9个α-氟-11β，17α，21-三羟基-16β-甲基-1,4-孕二烯-3、20-二酮（倍他米松I）17-酯衍生物与各种巯基化合物。结构-活性关系研究表明，在21位的硫基和在17位的酯基的结构组合有助于血管收缩活性。在这些化合物中，发现21-甲硫基17-丙酸酯化合物（6）具有最强的活性，比倍他米松17-戊酸酯（BV）更有效。

  DOI：

  10.1248/cpb.37.3286
• 作为产物：
  描述：

  原戊酸三甲酯 、 倍他米松 在 对甲苯磺酸 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 1.25h， 生成 倍他米松戊酸酯
  参考文献：
  名称：

  局部抗炎药的研究。三，合成17种α-酰氧基-9α-氟-11β-羟基-16β-甲基-1,4-孕二烯-3,20-二酮21-硫代衍生物和相关化合物。

  摘要：

  合成了一系列9-α-氟-11β，17α-二羟基-16β-甲基-1,4-孕二烯-3、20-二酮17-酯的21-硫代衍生物和相关化合物，并将其评估为局部抗炎药代理商。这些化合物是由9个α-氟-11β，17α，21-三羟基-16β-甲基-1,4-孕二烯-3、20-二酮（倍他米松I）17-酯衍生物与各种巯基化合物。结构-活性关系研究表明，在21位的硫基和在17位的酯基的结构组合有助于血管收缩活性。在这些化合物中，发现21-甲硫基17-丙酸酯化合物（6）具有最强的活性，比倍他米松17-戊酸酯（BV）更有效。

  DOI：

  10.1248/cpb.37.3286

文献信息

• [EN] PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES<br/>[FR] INHIBITEURS DE JAK À BASE DE PYRIMIDINE POUR LE TRAITEMENT DE MALADIES DE LA PEAU
  申请人：THERAVANCE BIOPHARMA R&D IP LLC

  公开号：WO2020219640A1

  公开（公告）日：2020-10-29

  The invention provides compounds of formula (I): or pharmaceutically-acceptable salts thereof, that are inhibitors of Janus kinases. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat inflammatory and autoimmune skin diseases.

  该发明提供了式(I)的化合物或其药用可接受盐，这些化合物是Janus激酶的抑制剂。该发明还提供了包含这些化合物的药物组合物，以及使用这些化合物治疗炎症性和自身免疫性皮肤疾病的方法。
• [EN] PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLOTRIAZINONE EN TANT QU'INHIBITEURS DES PI3K
  申请人：ALMIRALL SA

  公开号：WO2014060432A1

  公开（公告）日：2014-04-24

  New pyrrolotriazinone derivatives having the chemical structure of formula (I), are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks)

  新的吡咯三唑酮衍生物具有化学结构式（I），公开；以及它们的制备方法，包括它们的药物组合物和它们作为磷脂酰肌醇3-激酶（PI3Ks）抑制剂在治疗中的应用。
• [EN] PLANT STEROIDS AND USES THEREOF<br/>[FR] STÉROÏDES VÉGÉTAUX ET LEURS UTILISATIONS
  申请人：DAVIDSON LOPEZ LLC

  公开号：WO2013040441A1

  公开（公告）日：2013-03-21

  The invention relates to a drug conjugate including a drug and a plant steroid. The drug conjugate may target the drug for intestinal cell delivery, and thus may be used to treat diseases, including intestinal diseases, or to affect intestinal metabolism. The invention therefore also relates to treating intestinal diseases and affecting intestinal metabolism with the drug conjugate.

  这项发明涉及一种药物结合物，包括药物和植物类固醇。该药物结合物可以将药物定位到肠细胞传递，因此可用于治疗疾病，包括肠道疾病，或影响肠道代谢。因此，该发明还涉及使用药物结合物治疗肠道疾病和影响肠道代谢。
• [EN] COMPOUNDS USEFUL AS CSF1 MODULATORS<br/>[FR] COMPOSÉS UTILES EN TANT QUE MODULATEURS DU FACTEUR 1 DE STIMULATION DE COLONIES
  申请人：REDX PHARMA PLC

  公开号：WO2016051193A1

  公开（公告）日：2016-04-07

  This invention relates to novel compounds and to pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as Colony Stimulating Factor 1 Receptor (cFMS) modulators (e.g. cFMS inhibitors). This invention also relates to processes for preparing the compounds, uses of the compounds in treatment and methods of treatment employing the compounds. Specifically, the invention relates to the use of the compounds for the treatment of cancer and autoimmune diseases.

  这项发明涉及新颖化合物以及包含这些新颖化合物的药物组合物。更具体地，该发明涉及用作集落刺激因子1受体（cFMS）调节剂（例如cFMS抑制剂）的化合物。这项发明还涉及制备这些化合物的方法，这些化合物在治疗中的用途以及利用这些化合物进行治疗的方法。具体而言，该发明涉及利用这些化合物治疗癌症和自身免疫性疾病。
• NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20110275603A1

  公开（公告）日：2011-11-10

  The present invention provides dihydroorotate dehydrogenase inhibitors, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of diseases or disorders wherein the inhibition of Dihydroorotate dehydrogenase is known to show beneficial effect.

  本发明提供了脱氢鸟苷酸脱氢酶抑制剂，其制备方法，含有它们的药物组合物以及治疗、预防和/或改善疾病或障碍的方法，其中已知抑制脱氢鸟苷酸脱氢酶具有益处效果。

表征谱图