5-羟基萘-1-磺酰胺 | 17286-26-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 5-羟基萘-1-磺酰胺
• 英文名称: 1-Naphthol-5-sulfonylamid
• 英文别名: 5-hydroxy-naphthalene-1-sulfonic acid amide；5-Hydroxy-naphthalin-1-sulfonsaeure-amid；Naphthol-(1)-sulfonsaeure-(5)-amid；5-hydroxynaphthalene-1-sulfonamide；5-hydroxy-1-naphthalenesulphonamide；5-hydroxy-1-naphthalenesulfonamide
• CAS: 17286-26-9
• 化学式: C₁₀H₉NO₃S
• mdl: MFCD00004001
• 分子量: 223.252
• InChiKey: NFVBVKHGDDDCEA-UHFFFAOYSA-N

物化性质

• 熔点：
  253-255 °C
• 沸点：
  498.0±37.0 °C(Predicted)
• 密度：
  1.479±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2935009090

SDS

Name:	5-Hydroxy-1-Naphthalenesulfonamide 98% Material Safety Data Sheet
Synonym:	None Known
CAS:	17286-26-9

Section 1 - Chemical Product MSDS Name:5-Hydroxy-1-Naphthalenesulfonamide 98% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17286-26-9	5-Hydroxy-1-Naphthalenesulfonamide	98	241-319-7

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 17286-26-9: Personal Protective Equipment Eyes: Wear chemical splash goggles. Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 255.00 - 257.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H9NO3S
Molecular Weight: 223.25

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17286-26-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Hydroxy-1-Naphthalenesulfonamide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 17286-26-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17286-26-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17286-26-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-羟基萘-1-磺酰胺 、 MIBRT 在 N,N-二异丙基乙胺 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 作用下， 以 二氯甲烷 为溶剂， 反应 20.25h， 以54%的产率得到3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoyl-(5-hydroxy-1-naphthalenesulphonyl)-amide
  参考文献：
  名称：

  Novel thyroid receptor ligands and method II

  摘要：

  提供了新的甲状腺受体配体，其具有以下通式（I）：其中：n是从0到4的整数；R1是卤素、三氟甲基或1至6个碳原子的烷基或3至7个碳原子的环烷基；R2和R3相同或不同，是氢、卤素、1至4个碳原子的烷基或3至5个碳原子的环烷基，其中至少有一个是氢之外的其他基团；R4是其羧酸；或当n等于或大于1时，R4可以是杂环芳基团，可能被取代或未取代，或胺（NR′R″）。R5是氢或酰基（如乙酰基或苯甲酰基）或其他能够生物转化以生成游离酚结构（其中R5-H）的基团。此外，提供了一种方法，用于预防、抑制或治疗与代谢功能障碍相关或依赖于T3调节基因表达的疾病，其中上述描述的化合物以治疗有效剂量给予。与代谢功能障碍相关或依赖于T3调节基因表达的疾病的例子包括肥胖症、高胆固醇血症、动脉粥样硬化、心律失常、抑郁症、骨质疏松症、甲状腺功能减退症、甲状腺肿、甲状腺癌以及青光眼、充血性心力衰竭和皮肤疾病。

  公开号：

  US20050282872A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯氧磷 作用下， 生成 5-羟基萘-1-磺酰胺
  参考文献：
  名称：

  DE859027

  摘要：

  公开号：

文献信息

• Piperazine derivatives
  申请人：Middleton Stuart Donald

  公开号：US20050043300A1

  公开（公告）日：2005-02-24

  This invention relates to a compound of formula (I) or pharmaceutically acceptable salts, solvates or derivatives thereof, wherein R 1 to R 5 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation, compositions containing them and the uses of such derivatives. The compounds of the present invention inhibit the interaction of gp120 with CD4 and are therefore of use in the treatment of HIV, a retroviral infection genetically related to HIV, or AIDS.

  这项发明涉及一种具有化学式(I)的化合物 或其药用可接受的盐、溶剂合物或衍生物，其中R 1 至R 5 在描述中有定义，并涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这些衍生物的用途。 本发明的化合物抑制gp120与CD4的相互作用，因此在治疗HIV、与HIV有遗传关系的逆转录病毒感染或艾滋病方面有用。
• Substituted 1 and 2 naphthol mannich bases
  申请人：——

  公开号：US20040044061A1

  公开（公告）日：2004-03-04

  The invention relates to substituted 1 and 2 naphthol Mannich bases, a method for the production thereof, medicaments containing said compounds and the use of said compounds in the production of medicaments.

  该发明涉及取代的1和2-萘酚曼尼希碱，其生产方法，含有该化合物的药物以及该化合物在药物生产中的应用。
• Substituted 1 and 2-naphthol mannich bases
  申请人：GRUENENTHAL GMBH

  公开号：US20040147570A1

  公开（公告）日：2004-07-29

  The invention relates to substituted 1 and 2 naphthol Mannich bases, a method for the production thereof, medicaments containing said compounds and the use of said compounds in the production of medicaments.

  本发明涉及替代1和2萘酚曼尼希碱，其生产方法，含有该化合物的药物以及该化合物在制药中的应用。
• Thyroid receptor ligands and method II
  申请人：Karo Bio AB

  公开号：US07288571B2

  公开（公告）日：2007-10-30

  New thyroid receptor ligands are provided which have general formula (I) in which: n is an integer from 0 to 4; R1 is halogen, trifluoromethyl, or alkyl of 1 to 6 carbons or cycloalkyl of 3 to 7 carbons; R2 and R3 are the same or different and are hydrogen, halogen, alkyl of 1 to 4 carbons or cycloalkyl of 3 to 5 carbons, at least one of R2 and R3 being other than hydrogen; R4 is a carboxylic acid amide (CONR′R″) or an acylsulphonamide (CONHSO2R′) derivative, or a pharmaceutically acceptable salt thereof, and all stereolsom thereof; or when n is equal to or greater than one, R4 may be heteroaromatic moiety which may be substituted or unsubstituted, or an amine (NR′R″). R5 is hydrogen or an acyl (such as acetyl or benzoyl) or other group capable of bioconversion to generate the free phenol structure (wherein R5—H). In addition, a method is provided for preventing, inhibiting or treating a disease associated with metabolism dysfunction or which is dependant upon the expression of a T3 regulated gene, wherein a compound as described above is administered in a therapeutically effective amount. Examples of such diseases associated with metabolism dysfunction or are dependent upon the expression of a T3 regulated gene include obesity, hypercholesterolemia, atherosclerosis, cardiac arrhythmias, depression, osteoporosis, hypothyroidism, goiter, thyroid cancer as well as glaucoma, congestive heart failure and skin disorders.

  提供了新的甲状腺受体配体，其具有一般式（I），其中：n是0到4的整数；R1是卤素，三氟甲基，或1到6个碳的烷基或3到7个碳的环烷基；R2和R3相同或不同，是氢，卤素，1到4个碳的烷基或3到5个碳的环烷基，其中至少一个不是氢；R4是羧酸酰胺（CONR′R″）或酰基磺酰胺（CONHSO2R′）衍生物，或其药学上可接受的盐，以及所有立体异构体；或当n等于或大于1时，R4可以是杂环芳基基团，可以是取代或未取代的，或者是胺（NR′R″）。R5是氢或酰基（例如乙酰或苯甲酰）或其他能够生物转化为生成自由酚结构（其中R5-H）的基团。此外，提供了一种用于预防、抑制或治疗与代谢功能障碍相关或依赖于T3调节基因表达的疾病的方法，其中以上述化合物以治疗有效量的方式给予。与代谢功能障碍相关或依赖于T3调节基因表达的这些疾病的示例包括肥胖症、高胆固醇血症、动脉粥样硬化、心律失常、抑郁症、骨质疏松症、甲状腺功能减退症、甲状腺肿、甲状腺癌以及青光眼、充血性心力衰竭和皮肤疾病。
• Verfahren zur Herstellung von Hydroxynaphthalin-sulfonsäureamiden
  申请人：BAYER AG

  公开号：EP0263356A2

  公开（公告）日：1988-04-13

  Hydroxynaphthalin-sulfonsäureamide der Formel worin R, R₁, R₂ = H oder Substituent erhält man in einfacher Weise in reiner Form durch Umsetzung von Disulfonamiden der Formel mit Alkalien in wäßrigem Medium bei etwa 180 bis 250°C.

  式中 R、R₁、R₂ = H 或取代基的羟基萘磺酰胺可通过在约 180 至 250°C 的水介质中使式中的二磺酰胺与碱反应而轻易地获得纯品。

表征谱图