N(omega)-甲基色胺 | 61-49-4

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: N(omega)-甲基色胺
• 中文别名: N-甲基色胺；3-(2-甲基氨基乙基)吲哚；N-Ω-甲基色胺；N-OMEGA-甲基色胺
• 英文名称: N-Methyltryptamine
• 英文别名: [2-(1H-indol-3-yl)-ethyl]-methylamine；2-(1H-indol-3-yl)-N-methylethan-1-amine；3-(2-[methylamino]ethyl)indole；Nω-methyltryptamine；2-(1H-indol-3-yl)-N-methylethanamine
• CAS: 61-49-4
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: NCIKQJBVUNUXLW-UHFFFAOYSA-N

物化性质

• 熔点：
  87-89 °C(lit.)
• 沸点：
  295.23°C (rough estimate)
• 密度：
  0.9649 (rough estimate)
• 溶解度：
  DMF：11mg/mL； DMSO：5mg/mL；乙醇：20mg/mL；乙醇:PBS(pH 7.2)(1:1):0.5 mg/ml;甲醇：1mg/mL
• 物理描述：
  Solid
• 碰撞截面：
  142.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 保留指数：
  1770;1745

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  27.8
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• RTECS号：
  NM0450000
• 海关编码：
  2933990090
• 储存条件：
  -20°C

SDS

Name:	n-Omega-methyltryptamine 99% Material Safety Data Sheet
Synonym:	3-(2-Methylaminoethyl)indole; 1H-Indole-3-ethanamine, N-methyl-; 3-(2-(Methylamino)ethyl)indole; Indole, 3-(2-(methylamino)ethyl)-; Methyltryptamine; N-Methyltryptamine; N-Monomethyltryptamin
CAS:	61-49-4

Section 1 - Chemical Product MSDS Name:n-Omega-methyltryptamine 99% Material Safety Data Sheet
Synonym:3-(2-Methylaminoethyl)indole; 1H-Indole-3-ethanamine, N-methyl-; 3-(2-(Methylamino)ethyl)indole; Indole, 3-(2-(methylamino)ethyl)-; Methyltryptamine; N-Methyltryptamine; N-Monomethyltryptamin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61-49-4	N-omega-Methyltryptamine	99	200-507-9

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.
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:
Sweep up, then place into a suitable container for disposal. 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. 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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 61-49-4: 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: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 87.00 - 89.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C11H14N2
Molecular Weight: 174.24

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 61-49-4: NM0450000 LD50/LC50:
Not available.
Carcinogenicity:
N-omega-Methyltryptamine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 61-49-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61-49-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61-49-4 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：

  N(omega)-甲基色胺 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 生成 N,N-二甲基色胺
  参考文献：
  名称：

  抗真菌吲哚衍生物

  摘要：

  硝基甲烷与吲哚基硝基乙烯 2 的迈克尔加成生成 1,3-二硝基-2-（吲哚-3'-基）-丙烷 3. - 醛 4 和 10 与苄胺 12 和吲哚烷基胺 6a 和 9a 与苯甲醛 11 和席夫碱的还原导致 N-苄基-（吲哚-3-基甲基）-胺 13 和 N-苄基-（吲哚-3-基乙基）-胺 14。 - 叔胺 16 通过甲酰胺形成15，根据Mannich合成的胺18。- 检查所有化合物对结核分枝杆菌 H 37 Ra 的生长抑制作用。根据结构讨论抗真菌活性。

  DOI：

  10.1002/ardp.19943270209
• 作为产物：
  描述：

  相思豆毒素 320.0 ℃ 、1.6 kPa 条件下， 生成 N(omega)-甲基色胺
  参考文献：
  名称：

  Hoshino, Justus Liebigs Annalen der Chemie, 1935, vol. 520, p. 31,33

  摘要：

  DOI：
• 作为试剂：
  描述：

  benzofuran-6-carbonyl chloride 在 N(omega)-甲基色胺 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 3.0h， 生成 立他司特
  参考文献：
  名称：

  PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF

  摘要：

  本公开提供了合成利非替格和其中间体的高效、经济、改进的过程。目前公开的过程提供了一条直接的合成路线，避免了保护或脱保护步骤。目前公开的过程还提供了使用较少合成步骤合成利非替格的方法。

  公开号：

  US20190002445A1

文献信息

• [EN] BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION<br/>[FR] DÉRIVÉS BIS-HÉTÉROARYLIQUES EN TANT QUE MODULATEURS DE L'AGRÉGATION DES PROTÉINES
  申请人：NEUROPORE THERAPIES INC

  公开号：WO2017020010A1

  公开（公告）日：2017-02-02

  The present invention relates to certain bis-heteroaryl compounds, pharmaceutical compositions containing them, and methods of using them, including methods for preventing, reversing, slowing, or inhibiting protein aggregation, and methods of treating diseases that are associated with protein aggregation, including neurodegenerative diseases such as Parkinson's disease, Alzheimer's disease, Lewy body disease, Parkinson's disease with dementia, fronto- temporal dementia, Huntington's Disease, amyotrophic lateral sclerosis, and multiple system atrophy, and cancer including melanoma.

  本发明涉及某些双杂环芳基化合物，含有它们的药物组合物，以及使用它们的方法，包括用于预防、逆转、减缓或抑制蛋白聚集的方法，以及治疗与蛋白聚集相关的疾病的方法，包括帕金森病、阿尔茨海默病、路易体病、帕金森病伴痴呆、额颞型痴呆、亨廷顿病、肌萎缩侧索硬化和多系统萎缩等神经退行性疾病，以及包括黑色素瘤在内的癌症。
• [EN] LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS<br/>[FR] PROMÉDICAMENTS LIPIDIQUES ORIENTANT VERS LE SYSTÈME LYMPHATIQUE
  申请人：ARIYA THERAPEUTICS INC

  公开号：WO2019046491A1

  公开（公告）日：2019-03-07

  The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a provided lipid prodrug or a pharmaceutical composition thereof.

  本发明提供了淋巴系统定向脂质前药，其制药组合物，制备这种前药和组合物的方法，以及改善作为脂质前药一部分的治疗剂的生物利用度或其他性质的方法。本发明还提供了治疗疾病、紊乱或症状的方法，包括向需要的患者施用所提供的脂质前药或其制药组合物。
• Aminopyrimidine Kinase Inhibitors
  申请人：Baldino Carmen M.

  公开号：US20110152235A1

  公开（公告）日：2011-06-23

  Disclosed are compounds, pharmaceutical compositions containing those compounds, and uses of the compounds and compositions as modulators of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway. Uses are also disclosed for the treatment or prevention of a range of therapeutic indications due at least in part to aberrant physiological activity of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway.

  揭示了化合物、含有这些化合物的药物组合物，以及这些化合物和组合物作为酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径调节剂的用途。还揭示了用于治疗或预防一系列治疗适应症的用途，至少部分原因是由于酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径的异常生理活性。
• Synthesis of the Azepinoindole Framework via Oxidative Heck (Fujiwara-Moritani) Cyclization
  作者：Erik Van der Eycken、Pavel Donets

  DOI：10.1055/s-0030-1260057

  日期：2011.7

  A catalytic oxidative Heck (Fujiwara-Moritani) cyclization has been evaluated for construction of the azepinoindole framework starting from readily available 3-indoleacetic acid amides. The supporting role of the amide group in the substrate has been demonstrated necessary for the success of the cyclization.

  已评估了一种催化氧化赫克（Fujiwara-Moritani）环化反应，用于从易得的3-吲哚乙酸酰胺构建吖啶吲哚骨架。结果表明，在底物中酰胺基团的支持作用对于环化反应的成功至关重要。
• Combinations of substituted azetidinones and CB1 antagonists
  申请人：Veltri P. Enrico

  公开号：US20060069080A1

  公开（公告）日：2006-03-30

  The present invention provides compositions, therapeutic combinations and methods including: (a) at least one selective CB 1 antagonist; and (b) at least one substituted azetidinone or substituted β-lactam sterol absorption inhibitor which can be useful for treating vascular conditions, diabetes, obesity, metabolic syndrome and lowering plasma levels of sterols or 5α-stanols.

  本发明提供了包括以下内容的组合物、治疗组合和方法：(a)至少一种选择性CB1拮抗剂；和(b)至少一种取代的氮杂环丁烷或取代的β-内酰胺甾醇吸收抑制剂，可用于治疗血管疾病、糖尿病、肥胖、代谢综合征以及降低血浆中的甾醇或5α-甾烷醇水平。

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