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尼多非林 | 59160-29-1

中文名称
尼多非林
中文别名
N-(2,6-二甲基苯基氨基甲酰甲基)亚氨基二乙酸;N-(2,6-二甲基乙酰苯胺)亚氨基二乙酸
英文名称
Lidofenin
英文别名
N-(2,6-dimethylphenylcarbamoylmethyl)iminodiacetic acid;N-(2,6-dimethylphenylcarbamoylmethyl) iminodiacetic acid;2,6-dimethylacetanilideiminodiacetic acid;2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid
尼多非林化学式
CAS
59160-29-1
化学式
C14H18N2O5
mdl
MFCD00038399
分子量
294.307
InChiKey
DJQJFMSHHYAZJD-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    210 °C (dec.)(lit.)
  • 沸点:
    436.08°C (rough estimate)
  • 密度:
    1.2051 (rough estimate)
  • 稳定性/保质期:
    避免直接接触水。

计算性质

  • 辛醇/水分配系数(LogP):
    -1.6
  • 重原子数:
    21
  • 可旋转键数:
    7
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.357
  • 拓扑面积:
    107
  • 氢给体数:
    3
  • 氢受体数:
    6

安全信息

  • 危险品标志:
    Xi
  • 安全说明:
    S26,S36
  • 危险类别码:
    R36/37/38
  • WGK Germany:
    3
  • 海关编码:
    2924299090
  • 储存条件:
    在密封的贮藏器中,并将其置于阴凉、干燥处通风保存。

SDS

SDS:1115a175d2086b3bf66b023376a4f41c
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Name: N-(2 6-Dimethylphenylcarbamoyl-Methyl)-Iminodiacetic Acid 99% Material Safety Data Sheet
Synonym: Acetic Acid, (((2,6-Xylylcarbamoyl)methyl)imino)di-; Glycine, N-(Carboxymethyl)-N-(2-((2,6-Dimethylphenyl)amino)-2-Oxoethyl)-
CAS: 59160-29-1
Section 1 - Chemical Product MSDS Name:N-(2 6-Dimethylphenylcarbamoyl-Methyl)-Iminodiacetic Acid 99% Material Safety Data Sheet
Synonym:Acetic Acid, (((2,6-Xylylcarbamoyl)methyl)imino)di-; Glycine, N-(Carboxymethyl)-N-(2-((2,6-Dimethylphenyl)amino)-2-Oxoethyl)-

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
59160-29-1 Glycine, N-(Carboxymethyl)-N-2-(2,6-Di 99 261-636-4
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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.

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:

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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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.

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.

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# 59160-29-1: 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.

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: 213.00 - 216.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C14H18N2O5
Molecular Weight: 294.30

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.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 59160-29-1: AH1846000 LD50/LC50:
Not available.
Carcinogenicity:
Glycine, N-(Carboxymethyl)-N-2-(2,6-Dimethylphenyl)Amino2-Oxo - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


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

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.

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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 59160-29-1: No information available.
Canada
CAS# 59160-29-1 is listed on Canada's NDSL List.
CAS# 59160-29-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59160-29-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

利多卡因是一种亚氨基二乙酸(IDA)衍生物。利非宁可用于肝胆研究。

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    lutetium(III) chloride hexahydrate 、 尼多非林盐酸 、 sodium hydroxide 作用下, 以 为溶剂, 生成
    参考文献:
    名称:
    GaIII、YIII 和 LuIII 与 Etifenin 和类似物的复合物的合成和表征
    摘要:
    合成了 etifenin (1a)、disofenin (1b) 和 mebrofenin (1c) 与 GaIII、YIII 和 LuIII 的复合物,并通过 NMR 光谱和 UV/Vis 光谱表征。1a 复合物的稳定性和质子化常数通过电位测定法确定,并计算了分布图。结果表明,YIII 和 LuIII 物质在较高 pH 下作为双螯合物最稳定,而 GaIII 复合物在 pH < 4.5 时降解。
    DOI:
    10.1002/zaac.201600016
  • 作为产物:
    描述:
    2,6-二甲基苯胺乙醇丙酮 为溶剂, 反应 10.17h, 生成 尼多非林
    参考文献:
    名称:
    Mikiciuk-Olasik, Elzbieta; Wojewoda, Emilia; Bilichowski, Ireneusz, Acta poloniae pharmaceutica, 2010, vol. 67, # 2, p. 119 - 127
    摘要:
    DOI:
点击查看最新优质反应信息

文献信息

  • [EN] PHENOTHIAZINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE PHÉNOTHIAZINE ET LEURS UTILISATIONS
    申请人:CAMP4 THERAPEUTICS CORP
    公开号:WO2019195789A1
    公开(公告)日:2019-10-10
    The present invention provides phenothiazine compounds, processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment of various diseases or conditions, for example ribosomal disorders and ribosomopathies, e.g. Diamond Blackfan anemia (DBA).
    本发明提供了吩噻嗪化合物,其制备方法,包含该化合物的药物组合物,以及在治疗各种疾病或症状中使用该化合物或组合物,例如核糖体紊乱和核糖体病,例如钻石-布莱克范贫血(DBA)。
  • MULTIFUNCTIONAL SMALL MOLECULES
    申请人:Baker, JR. James R.
    公开号:US20120259114A1
    公开(公告)日:2012-10-11
    The present invention relates to dendrimer synthesis. Specifically, the present invention relates to triazine scaffolds capable of click chemistry for one-step synthesis of functionalized dendrimers, and methods of making and using the same.
    本发明涉及树枝状大分子的合成。具体而言,本发明涉及能够进行点击化学的 三嗪支架,用于一步法合成功能化树枝状大分子,以及制造和使用该支架的方法。
  • Preparation method of radioisotope labeling compound using carbon nanotube
    申请人:Park Sang Hyun
    公开号:US20080214797A1
    公开(公告)日:2008-09-04
    Disclosed herein is a method for the preparation of radioisotope-labeled compounds using CNT. It comprises filling the carbon nanotube with a radioisotope; and labeling a physiologically active material with the radioisotope charged in the carbon nanotube. Taking advantage of CNT, the method can prepare a radioisotope-labeled compound invention at a high yield and in a simple manner. Also, the radioisotope, when remaining unreacted, can be recovered by the filtration of the CNT, thereby achieving the prevention of radioactive contamination and the reduction of radioactive waste. Further, the radioisotope-labeled compound is useful as a contrast medium for imaging the hepatobiliary system.
    本文揭示了一种利用碳纳米管制备放射性同位素标记化合物的方法。该方法包括将碳纳米管填充放射性同位素;并使用填充在碳纳米管中的放射性同位素标记生理活性物质。利用碳纳米管,该方法可以以高产率和简单方式制备放射性同位素标记化合物。此外,当放射性同位素未反应时,可以通过对碳纳米管进行过滤来回收放射性同位素,从而实现防止放射性污染和减少放射性废物。此外,放射性同位素标记化合物可用作肝胆系统成像的造影剂。
  • Diagnostic or therapeutic somatostatin or bombesin analog conjugates and uses thereof
    申请人:Coy H. David
    公开号:US20050070470A1
    公开(公告)日:2005-03-31
    Disclosed are peptide agents and uses thereof that are analogs of biologically active peptides such as somatostatin and bombesin. The compounds of the invention have the general formula X-Y-Z-Q, where X is a cytotoxic agent, therapeutic agent, detectable label or chelating group, and Q is a biologically active peptide. In peptide agents of the invention Y is optionally a hydrophilic polymer or peptide, and Z is a linking peptide bonded to Q at the amino terminus of Q, having two, three, four, or five, amino acid residues selected to link X to Q, while retaining the biological activity of Q. Methods of using these peptide agents in the diagnosis and treatment of diseases are also disclosed.
    披露了肽剂及其用途,它们是生物活性肽的类似物,例如生长抑素和蛙皮素。发明的化合物具有通式X-Y-Z-Q,其中X是细胞毒素、治疗剂、可检测的标签或螯合基团,Q是生物活性肽。在发明的肽剂中,Y是可选的水溶性聚合物或肽,Z是与Q的氨基端连接的连接肽,具有两个、三个、四个或五个氨基酸残基,选择将X连接到Q,同时保留Q的生物活性。还披露了使用这些肽剂在疾病的诊断和治疗中的方法。
  • BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
    申请人:SENOMYX, INC.
    公开号:US20160376263A1
    公开(公告)日:2016-12-29
    The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.
    本发明涵盖已知用于改变苦味感知的化合物和组合物,以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种:冷却剂;无活性药物成分;活性药用成分;食品添加剂或食品;调味剂或调味增强剂;食品或饮料产品;苦味化合物;甜味剂;苦味剂;酸味调味剂;咸味调味剂;鲜味调味剂;植物或动物产品;已知用于宠物护理产品中的化合物;已知用于个人护理产品中的化合物;已知用于家用产品中的化合物;制药制剂;局部制剂;大麻衍生或与大麻相关的产品;已知用于口腔护理产品中的化合物;饮料;香味、香水或除臭剂;已知用于消费品中的化合物;硅化合物;磨料;表面活性剂;发热剂;吸烟物品;脂肪、油脂或乳化剂;和/或益生菌或补充剂。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸 麦撒奎 鹅膏氨酸 鹅膏氨酸 鸦胆子酸A甲酯 鸦胆子酸A 鸟氨酸缩合物