6-甲基吡啶-3-磺酸 | 4808-69-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 6-甲基吡啶-3-磺酸
• 中文别名: 6-甲基吡啶-3-磺酰酸
• 英文名称: 6-methyl-3-sulfonylpyridine
• 英文别名: 6-methyl-pyridine-3-sulfonic acid；6-Methyl-pyridin-3-sulfonsaeure；2-Methyl-pyridin-5-sulfonsaeure；2-Methyl-5-pyridinsulfonsaeure；6-Methylpyridin-1-ium-3-sulfonate
• CAS: 4808-69-9
• 化学式: C₆H₇NO₃S
• mdl: MFCD01646153
• 分子量: 173.192
• InChiKey: QFPGRDDFLCHSMR-UHFFFAOYSA-N

物化性质

• 熔点：
  >280 °C
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Methylpyridine-3-sulfonic acid
Synonyms: 2-Methylpyridine-5-sulfonic acid

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Methylpyridine-3-sulfonic acid
CAS number: 4808-69-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H7NO3S
Molecular weight: 173.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-甲基吡啶-3-磺酸 在 氢氧化钾 、 铁粉 作用下， 生成 3-羟基-6-甲基吡啶
  参考文献：
  名称：

  The Synthesis of Pseudoconhydrine

  摘要：

  DOI：

  10.1021/ja01178a038
• 作为产物：
  描述：

  碳酸甲丙酯 在 硫酸 、 mercury(II) sulfate 作用下， 生成 6-甲基吡啶-3-磺酸
  参考文献：
  名称：

  The Sulfonation of Pyridine and the Picolines

  摘要：

  DOI：

  10.1021/ja01251a063

文献信息

• Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use
  申请人：——

  公开号：US20030114499A1

  公开（公告）日：2003-06-19

  This invention encompasses anthranilamides with heteroarylsulfonyl side chain, process for their preparation, their use as medicament or diagnostic aid, and pharmaceutical preparations containing them. Compounds of formula I, 1 in which R1 to R7 have the meanings stated in the claims, act on the Kv1.5 potassium channel and inhibit a potassium current which is referred to as the ultra-rapidly activating delayed rectifier in the atrium of the human heart. They are therefore suitable as novel antiarrhythmic ingredients, such as for the treatment and prophylaxis of atrial arrhythmias, e.g. atrial fibrillation (AF) or atrial flutter.

  这项发明涵盖了具有杂环磺酰基侧链的蒽酰胺，其制备方法，它们作为药物或诊断辅助剂的用途，以及含有它们的制药制剂。具有式I的化合物，在其中R1至R7具有权利要求中所述的含义，作用于Kv1.5钾通道，并抑制被称为人类心房中超快速激活延迟整流器的钾电流。因此，它们适用作为新型抗心律失常成分，例如用于治疗和预防心房心律失常，如心房颤动（AF）或心房扑动。
• Reagents and procedures for high-specificity labeling
  申请人：Rutgers, The State University of New Jersey

  公开号：US20040019104A1

  公开（公告）日：2004-01-29

  A molecule with two pendant phenylarsine moieties according to the general structural Formula (I) and tautomers, acids, and salts thereof: 1 wherein: (i) R 1 or R 2 , are each independently O − , S − , OR 3 or SR 3 with the provision that if either R 1 or R 2 is absent, the other remaining group is ═O or ═S; or R 1 and R 2 , together with the arsenic atom, form a ring according to one of the general structural Formulae (II), (III), (IV), or (V): 2 wherein R 3 is H, CH(OH)CH 2 OH, or (CH 2 ) q —Y, with q being 1-4 and Y being H, OH, NH 2 , SH, COOH, OAc, CONH 2 or CN, and Z represents a hydrocarbon chain comprising 2-4 singly or doubly bonded carbon atoms each of which may be further substituted with one or more of hydrogen, methyl, ethyl, 1-propyl, 2-propyl, methoxy, hydroxy, amino, carboxy, sulfo, oxo, thio, halo (fluoro, chloro, bromo, or fluoro) and (CH 2 ) n″ SO 3 , wherein n″ is 1 or 2; (ii) R 4 , R 5 , R 6 and R 7 are each independently H, F, OR 3 , R 3 , OAc, NH 2 , N(C 1 -C 4 alkyl) 2 , R 1 ; or R 4 with R 5 , or R 6 together with R 7 , or both, form a ring; (iii) R 8 is a linear or branched optionally substituted spacer having a minimum length of approximately 1.5 and a maximum length of approximately 15 Ångstroms; and (iv) X is a detectable group. Methods of using the bis-phenylarsine molecule also are provided.

  根据通用结构式（I）及其互变异构体、酸和盐，具有两个挂链苯基砷基的分子： 其中：（i）R1或R2分别独立为O−、S−、OR3或SR3，但须注意如果R1或R2中有一个不存在，则另一个剩余基团为═O或═S；或者R1和R2与砷原子一起形成一个环，符合通用结构式（II）、（III）、（IV）或（V）之一： 其中R3为H、CH(OH)CH2OH或(CH2)q—Y，其中q为1-4，Y为H、OH、NH2、SH、COOH、OAc、CONH2或CN，Z代表一个含有2-4个单键或双键碳原子的碳氢链，每个碳原子可以进一步被氢、甲基、乙基、1-丙基、2-丙基、甲氧基、羟基、氨基、羧基、磺酰基、羰基、硫基、卤素（氟、氯、溴或氟）和(CH2)n″SO3等取代，其中n″为1或2；（ii）R4、R5、R6和R7各自独立为H、F、OR3、R3、OAc、NH2、N(C1-C4烷基)2或R1；或者R4与R5，或R6与R7，或两者一起形成一个环；（iii）R8为线性或支链的可选取代的间隔物，其最小长度约为1.5，最大长度约为15埃；（iv）X为可检测的基团。还提供了使用双苯基砷分子的方法。
• Reagents and procedures for multi-label high-specificity labeling
  申请人：Ebright H. Richard

  公开号：US20060141530A1

  公开（公告）日：2006-06-29

  A detectable complex and methods for use thereof are provided herein. The detectable complex includes: at least one target material; a first peptide tag bound to the at least one target material; and a second peptide tag bound to the at least one target material. The complex further includes a first conjugate having a detectable group and two pendant phenylarsine moieties comprising a first tag binding group; wherein the first conjugate preferentially associates with the first peptide tag; and a second conjugate having a detectable group and two pendant phenylarsine moieties comprising a second tag binding group; wherein the second conjugate preferentially associates with the second peptide tag. The mean distance and/or mean angle between the pendant phenylarsine moieties in the first conjugate is different from the mean distance and/or mean angle between the pendant phenylarsine moieties in the second conjugate. Further provided herein are useful peptide tag combinations, target materials or sets of target materials including these peptide tag combinations, and nucleic acids or nucleic acid sets encoding these compositions.

  本文提供了一种可检测的复合物及其使用方法。该可检测的复合物包括：至少一种靶材料；与至少一种靶材料结合的第一肽标签；以及与至少一种靶材料结合的第二肽标签。该复合物还包括一个具有可检测基团和两个悬挂苯胂基的第一共轭物，其中包括第一标签结合基团；其中第一共轭物优先与第一肽标签结合；以及一个具有可检测基团和两个悬挂苯胂基的第二共轭物，其中包括第二标签结合基团；其中第二共轭物优先与第二肽标签结合。第一共轭物中悬挂苯胂基之间的平均距离和/或平均角度与第二共轭物中悬挂苯胂基之间的平均距离和/或平均角度不同。此外，本文还提供了有用的肽标签组合、靶材料或包含这些肽标签组合的靶材料集合，以及编码这些组合的核酸或核酸集合。
• Ultra-high specificity fluorescent labeling
  申请人：Ebright H. Richard

  公开号：US20060141531A1

  公开（公告）日：2006-06-29

  A self-assembled relay probe for detecting a target material is provided including: a first peptide tag bound to the target material; and a first fluorescent conjugate including a first fluorochrome and a first tag binding group; wherein the first fluorescent conjugate selectively associates with the first tag. The probe further includes a second peptide tag bound to the target material; and a second fluorescent conjugate including a second fluorochrome having a longer wavelength and distinct excitation and emission maxima from the first fluorochrome and a second tag binding group. Upon exposure to the target material, the first and second fluorescent conjugates independently associate with the first and second peptide tags, respectively, so as to be a distance apart represented by about 0.1 times R 0 to about 2 times R 0 , such that upon excitation of the first fluorescent conjugate, fluorescence resonance energy transfer results in excitation of the second fluorescent conjugate, yielding detectable emission from the second fluorescent conjugate.

  提供了一种用于检测目标物质的自组装继电探针，包括：与目标物质结合的第一肽标签；以及包括第一荧光染料和第一标签结合基团的第一荧光共轭物；其中第一荧光共轭物选择性地与第一标签结合。探针还包括与目标物质结合的第二肽标签；以及包括具有比第一荧光染料波长长且激发和发射极值不同的第二荧光染料和第二标签结合基团的第二荧光共轭物。在暴露于目标物质时，第一和第二荧光共轭物分别与第一和第二肽标签独立结合，使得它们之间的距离大约为0.1倍R0到2倍R0，因此，在激发第一荧光共轭物时，荧光共振能量转移导致第二荧光共轭物被激发，从而产生第二荧光共轭物的可检测发射。
• Inhibitors of Ion Channels
  申请人：Marron Brian Edward

  公开号：US20130072471A1

  公开（公告）日：2013-03-21

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted aryl sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  本发明提供了在通过抑制电压门控钠通道中的钠离子流来治疗疾病方面有用的化合物、组合物和方法。更具体地，本发明提供了取代芳基磺酰胺、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病，特别是疼痛和慢性疼痛的方法，通过阻断与所示条件的发生或复发相关的钠通道来实现。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子流来治疗神经病性或炎症性疼痛。