羟基保泰松 | 7081-38-1

• 物质功能分类: 原料药 - 解热镇痛药 - 解热止痛药
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 羟基保泰松
• 中文别名: 羟基保泰松(药典标准品)；羟保泰松
• 英文名称: oxyphenbutazone monohydrate
• 英文别名: oxyphenbutazon monohydrate；Oxyphenbutazone；Oxyphenbutazone hydrate；4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate
• CAS: 7081-38-1
• 化学式: C₁₉H₂₀N₂O₃*H₂O
• 分子量: 342.395
• InChiKey: CNDQSXOVEQXJOE-UHFFFAOYSA-N

物化性质

• 熔点：
  96°; mp 124-125°
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36
• 危险类别码：
  R22,R36/38,R40,R42/43
• 储存条件：
  2-8°C

SDS

Version 1.2
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name OXYPHENBUTAZONE HYDRATE

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Harmful if swallowed. Irritating to eyes and skin. Limited
evidence of a carcinogenic effect. May cause sensitization by
inhalation and skin contact.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
OXYPHENBUTAZONE HYDRATE 7081-38-1 None None
Formula C19H20N2O3
Molecular Weight 324,4000 AMU

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
Suitable: Water spray. Appropriate foam.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures
SIGMA www.molbase.com

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PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear self-contained breathing apparatus, rubber boots, and heavy
rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Do not breathe dust. Do not get in
eyes, on skin, on clothing. Avoid prolonged or repeated exposure.
STORAGE
Conditions of Storage: Keep tightly closed. Store in a cool dry
place.
Store at 2-8°C

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling. Wash contaminated clothing before
reuse.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.

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9 - Physical and Chemical Properties

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Appearance Physical State: Solid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
SIGMA www.molbase.com
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
and nitrogen oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SENSITIZATION
Sensitization: May cause allergic reaction.
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
Fever, sore throat, lesions in the mouth, symptoms of anemia,
unusual bleeding or bruising, dyspepsia, epigastric pain, black
or tarry stools or other evidence of intestinal ulceration, skin
rashes, significant weight gain, edema, optic neuritis,
superficial ulceration of the cornea, conjunctivitis, blurred
vision, retinal hemorrhage, toxic amblyopia, retina detachment,
agranulocytosis, aplastic anemia, liver and kidney damage.
Stomach pains, vomiting, diarrhea. Exposure can cause:
ROUTE OF EXPOSURE
Skin Absorption: May be harmful if absorbed through the skin.
Inhalation: May be harmful if inhaled. Material may be
irritating to mucous membranes and upper respiratory tract.
Ingestion: Harmful if swallowed.
Multiple Routes: Causes eye and skin irritation.
TARGET ORGAN INFORMATION
Thyroid. Liver. Kidneys. Bone marrow. G.I. System. Blood.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
SIGMA www.molbase.com
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xn
Harmful.
R-PHRASES: 22-36/38-40-42/43
Harmful if swallowed. Irritating to eyes and skin. Limited
evidence of a carcinogenic effect. May cause sensitization by
inhalation and skin contact.
S-PHRASES: 22-26-36
Do not breathe dust. In case of contact with eyes, rinse
immediately with plenty of water and seek medical advice. Wear
suitable protective clothing.
Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

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16 - Other Information

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DISCLAIMER
For R&D or manufacturing use. Not for prescription compound or
other uses.
SIGMA www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

一水合氧苯丁酮是苯丁酮（HY-B0230）的代谢物，具有抗炎作用。它是一种口服活性、非选择性的COX抑制剂，并且能够选择性地杀死非复制性结核分枝杆菌。

反应信息

• 作为反应物：
  描述：

  羟基保泰松 、 双氧水 、 sodium hydroxide 、 盐酸 在 乙酸乙酯 、 氯化钠 、 magnesium sulfate 、 silica gel 、 ethyl acetate heptane 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以giving 1.3 g (66%)的产率得到4-Hydroxy-oxyphenbutazon
  参考文献：
  名称：

  Pyrazolidinol compounds

  摘要：

  本发明提供了一种可选择羟基保护的4-羟基或羟过氧基-3,5-二氧代吡唑烷或等效物的应用，其中吡唑烷环上附着的氧被硫代替，或其生理上可接受的盐，用于制造用于药物治疗或预防的药物。此外，本发明还提供了一种抗击HIV感染的方法，该方法包括向HIV感染患者施用T淋巴细胞生长抑制剂，优选为吡唑烷醇，其剂量足以在足够长的时间内抑制该患者的T淋巴细胞生长，以减少该患者淋巴结中的T淋巴细胞浓度。

  公开号：

  US20070037772A1

文献信息

• Eflornithine Prodrugs, Conjugates and Salts, and Methods of Use Thereof
  申请人：Xu Feng

  公开号：US20100120727A1

  公开（公告）日：2010-05-13

  In one aspect, the present invention provides a composition of a covalent conjugate of an eflornithine analog with an anti-inflammatory drug. In another aspect, the present invention provides a composition of an eflornithine prodrug. In another aspect, the present invention provides a composition of an eflornithine or its derivatives aspirin salt. In another aspect, the present invention provides methods for treating or preventing cancer using the conjugates or salts of eflornithine analogs or eflornithine prodrugs.

  在一个方面，本发明提供了一种氟硝西汀类似物与抗炎药物的共价结合物的组合物。在另一个方面，本发明提供了一种氟硝西汀前药的组合物。在另一个方面，本发明提供了一种氟硝西汀或其衍生物水杨酸盐的组合物。在另一个方面，本发明提供了使用氟硝西汀类似物或氟硝西汀前药的共轭物或盐来治疗或预防癌症的方法。
• SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS
  申请人：BLUM Andreas

  公开号：US20140135309A1

  公开（公告）日：2014-05-15

  This invention relates to novel sulfoximine substituted quinazoline derivatives of formula I wherein Ar, R 1 and R 2 are as defined herein, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  这项发明涉及公式I的新型磺酰胺取代的喹唑啉衍生物，其中Ar、R1和R2如本文所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• [EN] SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] QUINAZOLINES SUBSTITUÉES PAR SULFOXIMINE POUR COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014072244A1

  公开（公告）日：2014-05-15

  This invention relates to novel sulfoximine substituted quinazoline derivatives of formula (I), wherein Ar, R1 and R2 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  这项发明涉及一种新型的配方(I)的磺酰胺取代喹唑啉衍生物，其中Ar、R1和R2如描述和声明中所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• [EN] ARYL ETHER-BASE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES DE TYPE ARYLÉTHER-BASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015038112A1

  公开（公告）日：2015-03-19

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。
• [EN] PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE<br/>[FR] COMPOSÉS À BASE DE PYRAZOLO[1,5-A] PYRIMIDINE, COMPOSITIONS LES COMPRENANT ET UTILISATIONS DE CEUX-CI
  申请人：LEXICON PHARMACEUTICALS INC

  公开号：WO2013134228A1

  公开（公告）日：2013-09-12

  Pyrazolo[1,5-a]pyrimidine-based compounds of the formula: are disclosed, wherein R1, R2 and R3 are defined herein. Compositions comprising the compounds and methods of their use to treat, manage and/or prevent diseases and disorders mediated by mediated by adaptor associated kinase 1 activity are also disclosed.

  基于吡唑并[1,5-a]嘧啶的化合物的公式如下：其中R1、R2和R3在此处被定义。还公开了包含这些化合物的组合物以及它们的使用方法，用于治疗、管理和/或预防由适配器相关激酶1活性介导的疾病和紊乱。