2-氨基-5-甲氧基-苯磺酰胺 | 6451-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-5-甲氧基-苯磺酰胺
• 英文名称: 2-amino-5-methoxybenzenesulfonamide
• 英文别名: 2-amino-5-methoxybenzenesulphonamide
• CAS: 6451-50-9
• 化学式: C₇H₁₀N₂O₃S
• 分子量: 202.234
• InChiKey: DSUQOTGCKDGCEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  125-130 °C
• 沸点：
  433.6±55.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090

SDS

Name:	2-Amino-5-methoxy-benzene sulphonamide Material Safety Data Sheet
Synonym:	None Known
CAS:	6451-50-9

Section 1 - Chemical Product MSDS Name:2-Amino-5-methoxy-benzene sulphonamide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6451-50-9	2-Amino-5-methoxy-benzene sulphonamide	ca. 100	unlisted

Hazard Symbols: T
Risk Phrases: 23/24/25

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Toxic in contact with skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Toxic if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Toxic if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood.
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6451-50-9: Personal Protective Equipment Eyes: 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 prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 115 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: C7H10N3O3S
Molecular Weight: 216.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6451-50-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-5-methoxy-benzene sulphonamide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6451-50-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6451-50-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6451-50-9 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：

  2-氨基-5-甲氧基-苯磺酰胺 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 4-ethyl-7-methoxy-4H-1,2,4-benzothiadiazine 1,1-dioxide
  参考文献：
  名称：

  Design, Synthesis, and Pharmacology of Novel 7-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of AMPA Receptors

  摘要：

  A series of 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxides have been synthesized and evaluated as potentiators of AMPA receptors. Attention was paid to the impact of the substituent introduced at the 7-position of the heterocycle. The biological evaluation was achieved by measuring the AMPA current in rat cortex mRNA-injected Xenopus oocytes. The most potent compound, 4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide (12a) was found to be active in an object recognition test in rats demonstrating cognition enhancing effects in vivo after oral administration.

  DOI：

  10.1021/jm070120i
• 作为产物：
  描述：

  在 aluminum (III) chloride 、 硫酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 2-氨基-5-甲氧基-苯磺酰胺
  参考文献：
  名称：

  Radiosynthesis of a carbon-11-labeled AMPAR allosteric modulator as a new PET radioligand candidate for imaging of Alzheimer’s disease

  摘要：

  To develop PET tracers for imaging of Alzheimer's disease, a new carbon-11-labeled AMPAR allosteric modulator 4-cyclopropyl-7-(3-[C-11] methoxyphenoxy)-3,4-dihydro-2H-benzo[e][1,2,4] thiadiazine 1,1-dioxide ([C-11] 8) has been synthesized. The reference standard 4-cyclopropyl-7-(3-methoxyphenoxy)-3,4-dihydro-2H-benzo[e][1,2,4] thiadiazine 1,1-dioxide (8) and its corresponding desmethylated precursor 4-cyclopropyl-7-(3-hydroxyphenoxy)3,4- dihydro-2H-benzo[e][1,2,4] thiadiazine 1,1-dioxide (9) were synthesized from 4-methoxyabiline and chlorosulfonyl isocyanate in eight and nine steps with 3% and 1% overall chemical yield, respectively. The target tracer [C-11] 8 was prepared from the precursor 9 with [C-11] CH3OTf through O-[C-11] methylation and isolated by HPLC combined with SPE in 10-15% radiochemical yield, based on [C-11] CO2 and decay corrected to end of bombardment (EOB). The radiochemical purity was> 99%, and the molar activity (AM) at EOB was 370-740 GBq/mu mol with a total synthesis time of 35-40-minutes from EOB.

  DOI：

  10.1016/j.bmcl.2019.03.027
• 作为试剂：
  描述：

  7-甲氧基-1,1-二氧代-1,4-二氢-2H- 1lambda*6*-苯并[1,2,4]噻二嗪-3-酮 、 sodium hydroxide 在 ice 、 乙酸乙酯 、 Brine 、 magnesium sulfate 、 2-氨基-5-甲氧基-苯磺酰胺 作用下， 以 硫酸 为溶剂， 反应 6.0h， 以to afford the desired product, 2-amino-5-methoxy-benzenesulfonamide (8.1 g, 40.1 mmol, 61% yield) as a brown solid的产率得到2-氨基-5-甲氧基-苯磺酰胺
  参考文献：
  名称：

  PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS

  摘要：

  本发明涉及吡咯[1,2-b]吡啶嗪化合物及含有此类化合物的药物组合物，其在治疗丙型肝炎病毒感染方面具有用处。

  公开号：

  US20090105473A1

文献信息

• Anti-infective agents
  申请人：——

  公开号：US20040087577A1

  公开（公告）日：2004-05-06

  Compounds having the formula 1 are hepatitis C (HCV) polymerase inhibitors. Also disclosed are a composition and method for inhibiting hepatitis C (HCV) polymerase, processes for making the compounds, and synthetic intermediates employed in the processes.

  具有公式1的化合物是丙型肝炎（HCV）聚合酶抑制剂。还公开了一种用于抑制丙型肝炎（HCV）聚合酶的组成和方法，用于制造这些化合物的过程，以及在这些过程中使用的合成中间体。
• [EN] FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY<br/>[FR] DÉRIVÉS DE [1,2,4]THIADIAZINE FUSIONNÉS AGISSANT EN TANT QU'INHIBITEURS DE KAT DE LA FAMILLE DES MYST
  申请人：CTXT PTY LTD

  公开号：WO2019043139A1

  公开（公告）日：2019-03-07

  A compound of formula (I): which inhibits the activity of one or more KATs of the MYST family, i.e., TIP60, KAT6B, MOZ, HBO1 and MOF.

  一种化合物的化学式（I）：抑制MYST家族中一个或多个KATs的活性，即TIP60、KAT6B、MOZ、HBO1和MOF。
• Bis-(Sulfonylamino) Derivatives in Therapy 205
  申请人：Bylund Johan

  公开号：US20090163586A1

  公开（公告）日：2009-06-25

  The invention provides compounds of formula (I) wherein R 1 , R 3 , L 1 , L 2 , G 1 , G 2 , A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了式（I）的化合物 其中R 1 ，R 3 ，L 1 ，L 2 ，G 1 ，G 2 ，A和m如规范中定义的那样，以及其光学异构体，消旋体和互变异构体，以及其药学上可接受的盐；以及它们的制备方法，含有它们的药物组合物以及它们在治疗中的应用。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• [EN] NOVEL ANTI-INFECTIVES<br/>[FR] NOUVEAUX ANTI-INFECTIEUX
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2003099801A1

  公开（公告）日：2003-12-04

  Compounds useful as HCV anti-infectives are disclosed. Also disclosed are methods of making and using the same.

  抗丙型肝炎病毒感染的有用化合物已被披露。同时还披露了制备和使用这些化合物的方法。
• Benzothiadiazine compounds
  申请人：——

  公开号：US20020037894A1

  公开（公告）日：2002-03-28

  Compound of formula (I): 1 wherein: R 1 represents hydroxy, RCO—O— or RCO—NR a —, R 2 represents hydrogen, halogen, or hydroxy, R′CO—O or R′CO—NR′ a —, R and R′, which may be identical or different, represent linear or branched (C 1 -C 6 )alkyl optionally substituted by aryl, linear or branched (C 2 -C 6 )alkenyl optionally substituted by aryl, linear or branched (C 1 -C 6 )perhaloalkyl, (C 3 -C 7 )cycloalkyl, adamantyl, aryl or heteroaryl, R a and R′ a , which may be identical or different, represent hydrogen or linear or branched (C 1 -C 6 )alkyl, linear or branched (C 1 -C 6 )perhaloalkyl, linear or branched (C 1 -C 6 )acyl, aryl or heteroaryl, its isomer and addition salts thereof with a pharmaceutically acceptable acid or base and medicinal products containing the same are useful as AMPA modulators.

  化合物的结构式（I）如下： 其中： R1代表羟基，RCO—O—或RCO—NRa—， R2代表氢，卤素或羟基，R′CO—O或R′CO—NR′a—， R和R′（可以相同也可以不同）代表线性或支链（C1-C6）烷基，可选地被芳基取代，线性或支链（C2-C6）烯基，可选地被芳基取代，线性或支链（C1-C6）全氟烷基，（C3-C7）环烷基，金刚烷基，芳基或杂环芳基， Ra和R′a（可以相同也可以不同）代表氢或线性或支链（C1-C6）烷基，线性或支链（C1-C6）全氟烷基，线性或支链（C1-C6）酰基，芳基或杂环芳基， 该化合物及其与药学上可接受的酸或碱形成的加合物以及含有该化合物的药物制剂可用作AMPA调节剂。