醋酸氟氢可的松 | 514-36-3

• 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: 醋酸氟氢可的松
• 中文别名: 醋酸腐氢可的松；甲醇中氟氢可的松
• 英文名称: fludrocortisone acetate
• 英文别名: 11β,17α-dihydroxy-9α-fluoro-21-acetoxypregna-4-ene-3,20-dione；9α-fluoro-11β, 17α, 21-trihydroxy-4-pregnene-3, 20-dione 21-acetate；11β,17α,21-trihydroxy-9α-fluoropregn-4-ene-3,20-dione-21-acetate；9-α-fluoro-11β,17α,21-trihydroxy-4-pregnene-3,20-dione acetate；fludrocortisone 21-acetate；[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• CAS: 514-36-3
• 化学式: C₂₃H₃₁FO₆
• mdl: MFCD00864160
• 分子量: 422.494
• InChiKey: SYWHXTATXSMDSB-GSLJADNHSA-N

物化性质

• 熔点：
  233-234°C
• 比旋光度：
  D23 +123° (c = 0.64 in chloroform)
• 沸点：
  575.1±50.0 °C(Predicted)
• 密度：
  1.0953 (rough estimate)
• 溶解度：
  几乎不溶于水，微溶于无水乙醇。
• 碰撞截面：
  189.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
• 稳定性/保质期：

  按规格使用和贮存，不会发生分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.782
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 安全说明：
  S22,S26,S36
• 危险品运输编号：
  NONH for all modes of transport
• WGK Germany：
  3
• 海关编码：
  2937229000
• 危险品标志：
  Xn
• 危险类别码：
  R63
• RTECS号：
  TU5050000
• 储存条件：
  储存于阴凉、干燥、通风良好的库房。远离火种和热源，防止阳光直射，并确保包装密封。应将储存物品与酸类及食用化学品分开存放，切忌混储。同时，在储区备有合适的材料以收容泄漏物。

SDS

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Section 1. Chemical Product and Company Identification
Fludrocortisone acetate Catalog
FL117
Common Name/
Number(s).
Trade Name
CAS# 514-36-3
Manufacturer
RTECS TU5050000
SPECTRUM CHEMICAL MFG. CORP.
TSCA TSCA 8(b) inventory: No
products were found.
Commercial Name(s) Not available.
CI# Not available.
Synonym (11beta)-9-Fluorto-11,17,21-trihydroxypregn-4-ene-3,20dione acetate
IN CASE OF EMERGENCY
Not available.
Chemical Name
Chemical Family Not available. CALL [phone]
C23H31FO6
Chemical Formula
SPECTRUM CHEMICAL MFG. CORP.

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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) Fludrocortisone acetate 514-36-3 100
Toxicological Data Fludrocortisone acetate:
on Ingredients ORAL (LD50): Acute: 1001 mg/kg [Rat].

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Section 3. Hazards Identification
Potential Acute Health Effects Hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation. Slightly hazardous
in case of skin contact (permeator).
Potential Chronic Health CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Not available.
Effects
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure is not known to aggravate medical condition.
Fludrocortisone acetate

---

Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. Do not use an eye ointment. Seek medical attention.
Skin Contact After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin
with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated
clothing before reusing.
Serious Skin Contact Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate
medical attention.
Inhalation Allow the victim to rest in a well ventilated area. Seek immediate medical attention.
Serious Inhalation Not available.
Ingestion Do not induce vomiting. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible
indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Loosen
tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Seek immediate medical attention.
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.
of Various Substances Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
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.
Fludrocortisone acetate

---

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.
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. Avoid contact with skin and eyes
Storage Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
and away from strong oxidizing agents.

---

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 Splash goggles. 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. Odor Not available.
Taste Not available.
422.5 g/mole
Molecular Weight
Color Not available.
pH (1% soln/water) Not available.
Boiling Point Decomposes.
Melting Point 233.5°C (452.3°F)
Critical Temperature Not available.
Specific Gravity Not available.
Not applicable.
Vapor Pressure
Vapor Density Not available.
Volatility Not available.
Odor Threshold Not available.
Water/Oil Dist. Coeff. Not available.
Not available.
Ionicity (in Water)
Dispersion Properties Not available.
Not available.
Solubility

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Section 10. Stability and Reactivity Data
The product is stable.
Stability
Instability Temperature Not available.
Not available.
Conditions of Instability
Incompatibility with various Not available.
substances
Fludrocortisone acetate
Corrosivity Non-corrosive in presence of glass.
Special Remarks on Not available.
Reactivity
Special Remarks on Not available.
Corrosivity
Polymerization No.

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Section 11. Toxicological Information
Routes of Entry Eye contact. Inhalation. Ingestion.
Toxicity to Animals Acute oral toxicity (LD50): 1001 mg/kg [Rat].
Chronic Effects on Humans Not available.
Other Toxic Effects on Hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans Slightly hazardous in case of skin contact (permeator).
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

---

Section 12. Ecological Information
Ecotoxicity Not available.
BOD5 and COD Not available.
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
Toxicity of the Products The products of degradation are more toxic.
of Biodegradation
Special Remarks on the Not available.
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).
Identification Not applicable.
Special Provisions for Not applicable.
Transport
Fludrocortisone acetate
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California California prop. 65: This product contains the following ingredients for which the State of California has found
to cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found
to cause birth defects which would require a warning under the statute: No products were found.
Other Regulations Not available..
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) R22- Harmful if swallowed.
R36/38- Irritating to eyes and skin.
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.
Fludrocortisone acetate

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

醋酸氟氢可的松简介

醋酸氟氢可的松是美国临床指南中治疗失盐型肾上腺皮质增生综合征及阿狄森氏综合征唯一推荐的盐皮质激素药物。在原发性肾上腺皮质功能减退症中，它主要发挥盐皮质激素作用，并且可以与糖皮质类固醇一起用于替代治疗。此外，醋酸氟氢可的松也适用于低肾素低醛固酮综合征和自主神经病变所致直立性低血压等。

药理作用

醋酸氟氢可的松是氢化可的松C9位氟的衍生物，属于中效糖皮质激素。它具有显著的抗炎、抗过敏及止痒作用。其抗炎效果约为氢化可的松的15倍，钠潴留作用更是后者的一百多倍。

禁忌症

• 对本药及其基质成分或任何其他糖皮质激素过敏者禁用。
• 急性细菌性、真菌性和病毒性等感染性皮肤病禁用。

不良反应

1. 使用时可能会出现烧灼感和皮肤刺激感，偶尔会发生接触性皮炎。
2. 长期局部外用可能导致毛细血管扩张、多毛现象、皮肤萎缩，并增加对感染的易感性。封包治疗更常见。
3. 用于面部区域长期应用可引发痤疮样疹、酒渣样皮炎、颜面红斑和口周皮炎等症状。
4. 长期大面积使用可能因药物累积吸收而导致皮质功能亢进征（库欣综合征），表现为多毛、痤疮、满月脸、高血压、骨质疏松、精神抑郁以及伤口愈合不良等。
5. 儿童长期使用该药可能会抑制生长和发育。

注意事项

• 皮肤有化脓感染或真菌感染时，应同时使用抗感染药物。若症状未及时改善，需停用本药直至感染得到控制。
• 不宜长期或大面积使用，同一部位连续使用时间不宜超过2周。

用法用量

外用适量，涂于患处。每日两次。

反应信息

• 作为反应物：
  描述：

  醋酸氟氢可的松 在 didymella lycopersicin 作用下， 生成 异氟泼尼松
  参考文献：
  名称：

  Herstellung weiterer 1-Dehydro-steroide auf mikrobiologischem Wege。7岁的Mikrobiologische Reaktionen

  摘要：

  检测蔓该属的某些真菌特别适合于酶引入1,2-双键进Δ 4 -3-酮-类固醇。以这种方式，已经制备了许多新的1-脱氢类固醇。

  DOI：

  10.1002/hlca.19550380623
• 作为产物：
  描述：

  9β,11β-epoxy-17α-hydroxypregna-4-ene-3,20-dione-21-acetate 在 氟化氢吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以57.4%的产率得到醋酸氟氢可的松
  参考文献：
  名称：

  一种氟氢可的松醋酸酯的制备方法

  摘要：

  本发明涉及一种氟氢可的松醋酸酯的制备方法，包括：9β,11β‑环氧‑17α‑羟基孕甾‑4‑烯‑3,20‑二酮‑21‑醋酸酯与氟化试剂进行开环反应，其中所述氟化试剂为氟化氢的有机胺盐或溶液。本发明重点改良了关键工艺步骤环氧化合物开环氟化的试剂及条件，以氟化氢的有机胺盐代替高毒性、高腐蚀性的氟化氢气体，操作安全方便，氟化试剂用量少，适合工业生产。

  公开号：

  CN107915766A

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：BIOCAD JOINT STOCK CO

  公开号：WO2018092047A1

  公开（公告）日：2018-05-24

  The present invention relates to a new compound of formula I: or pharmaceutically acceptable salt, solvate or stereoisomer thereof, wherein: V1 is C or N, V2 is C(R2) or N, whereby if V1 is C then V2 is N, if V1 is C then V2 is C(R2), or if V1 is N then V2 is C(R2); each n, k is independently 0, 1; each R2, R11 is independently H, D, Hal, CN, NR'R", C(O)NR'R", C1-C6 alkoxy; R3 is H, D, hydroxy, C(O)C1-C6 alkyl, C(O)C2-C6 alkenyl, C(O)C2-C6 alkynyl, C1-C6 alkyl; R4 is H, Hal, CN, CONR'R", hydroxy, C1-C6 alkyl, C1-C6 alkoxy; L is CH2, NH, O or chemical bond; R1 is selected from the group of the fragments, comprising: Fragment 1, Fragment 2, Fragment 3 each A1, A2, A3, A4 is independently CH, N, CHal; each A5, A6, A7, A8, A9 is independently C, CH or N; R5 is H, CN, Hal, CONR'R", C1-C6 alkyl, non-substituted or substituted by one or more halogens; each R' and R" is independently selected from the group, comprising H, C1-C6 alkyl, C1-C6 cycloalkyl, aryl; R6 is selected from the group: [formula II] each R7, R8, R9, R10 is independently vinyl, methylacetylenyl; Hal is CI, Br, I, F, which have properties of inhibitor of Bruton's tyrosine kinase (Btk), to pharmaceutical compositions containing such compounds, and their use as pharmaceuticals for treatment of diseases and disorder.

  本发明涉及一种新的化合物，其化学式为I：或其药学上可接受的盐、溶剂化合物或立体异构体，其中：V1为C或N，V2为C(R2)或N，如果V1为C，则V2为N，如果V1为C，则V2为C(R2)，或者如果V1为N，则V2为C(R2)；每个n，k独立地为0或1；每个R2，R11独立地为H，D，Hal，CN，NR'R"，C(O)NR'R"，C1-C6烷氧基；R3为H，D，羟基，C(O)C1-C6烷基，C(O)C2-C6烯基，C(O)C2-C6炔基，C1-C6烷基；R4为H，Hal，CN，CONR'R"，羟基，C1-C6烷基，C1-C6烷氧基；L为CH2，NH，O或化学键；R1从包括的片段组中选择：片段1，片段2，片段3，每个A1，A2，A3，A4独立地为CH，N，CHal；每个A5，A6，A7，A8，A9独立地为C，CH或N；R5为H，CN，Hal，CONR'R"，C1-C6烷基，未取代或被一个或多个卤素取代；每个R'和R"独立地从包括H，C1-C6烷基，C1-C6环烷基，芳基的组中选择；R6从组中选择：[化学式II]每个R7，R8，R9，R10独立地为乙烯基，甲基乙炔基；Hal为CI，Br，I，F，具有布鲁顿酪氨酸激酶（Btk）抑制剂的性质，以及含有这种化合物的药物组合物，以及它们作为治疗疾病和紊乱的药物的用途。
• [EN] BRUTON'S TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：PFIZER

  公开号：WO2014068527A1

  公开（公告）日：2014-05-08

  Disclosed herein are compounds that form covalent bonds with Bruton's tyrosine kinase (BTK). Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the BTK inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, and inflammatory diseases or conditions. (Formula I)

  本文披露了一种与Bruton's酪氨酸激酶（BTK）形成共价键的化合物。公开了制备这些化合物的方法。还披露了包括这些化合物的药物组合物。公开了使用BTK抑制剂的方法，单独或与其他治疗剂联合治疗自身免疫疾病或症状、异源免疫疾病或症状、癌症，包括淋巴瘤，以及炎症性疾病或症状的方法。 (化学式I)
• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：Whitten Jeffrey P.

  公开号：US20110263612A1

  公开（公告）日：2011-10-27

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或症状。
• [EN] CYCLIC DINUCLEOTIDES AS AGONISTS OF STIMULATOR OF INTERFERON GENE DEPENDENT SIGNALLING<br/>[FR] DINUCLÉOTIDES CYCLIQUES UTILISÉS EN TANT QU'AGONISTES DU STIMULATEUR DE LA SIGNALISATION DÉPENDANTE DU GÈNE DE L'INTERFÉRON
  申请人：UNIV TEXAS

  公开号：WO2018156625A1

  公开（公告）日：2018-08-30

  Disclosed herein are new cyclic dinucleotide compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of modulation of immune response to disease, and induce Stimulator of Interferon Genes (STING) dependent type I interferon production and co-regulated genes in a human or animal subject are also provided for the treatment diseases such as cancer, particularly metastatic solid tumors and lymphomas, inflammation, allergic and autoimmune disease, infectious disease, and for use as anti-viral agents and vaccine adjuvants.

  本文披露了新的环二核苷酸化合物和组合物，以及它们作为药物治疗疾病的应用。还提供了调节免疫应答以及诱导干扰素基因激活剂（STING）依赖型I干扰素在人类或动物受试者中产生和共调控基因的方法，用于治疗癌症、尤其是转移性实体瘤和淋巴瘤、炎症、过敏和自身免疫疾病、传染病，以及作为抗病毒剂和疫苗佐剂的用途。
• [EN] BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE EN TANT QU'INHIBITEURS D'ITK
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2014036016A1

  公开（公告）日：2014-03-06

  The present disclosure is directed to certain inhibitors of kinases such as ITK, BLK, BMX, BTK, JAK3, TEC, TXK, HER2 (ERBB2), or HER4 (ERBB4), in particular ITK, pharmaceutical compositions comprising such compounds, and method of treating diseases mediated by such kinases.

  本公开涉及特定激酶抑制剂，如ITK、BLK、BMX、BTK、JAK3、TEC、TXK、HER2（ERBB2）或HER4（ERBB4），特别是ITK，包括这些化合物的药物组合物，以及治疗由这些激酶介导的疾病的方法。