肉豆蔻酰肌氨酸 | 52558-73-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 肉豆蔻酰肌氨酸
• 中文别名: N-十四(烷)酰肌氨酸
• 英文名称: N-tetradecanoylsarcosine
• 英文别名: Myristoyl sarcosine；N-tetradecanoyl sarcosine；N-myristoyl-sarcosine；N-myristoyl sarcosine；N-methyl-N-myristoyl-glycine；Glycine, N-methyl-N-(1-oxotetradecyl)-；2-[methyl(tetradecanoyl)amino]acetic acid
• CAS: 52558-73-3
• 化学式: C₁₇H₃₃NO₃
• 分子量: 299.454
• InChiKey: NGOZDSMNMIRDFP-UHFFFAOYSA-N

物化性质

• 沸点：
  439.5±28.0 °C(Predicted)
• 密度：
  0.971±0.06 g/cm3(Predicted)
• LogP：
  5.256 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

代谢

酰基肌氨酸可以通过口服或皮肤接触被吸收，而亚硝胺可以通过摄入、吸入或皮肤接触进入人体。一旦进入人体，亚硝胺会被细胞色素P-450酶代谢，这实际上将它们激活为致癌物质。肌氨酸通过肌氨酸脱氢酶酶转化为甘氨酸。（A2878, A2879, L1892）

Acyl sarcosines can be absorbed following oral or dermal contact, while nitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. Sarcosine is metabolized to glycine by the enzyme sarcosine dehydrogenase. (A2878, A2879, L1892)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

虽然酰基肌氨酸本身并不具有毒性，但它们是亚硝化剂。亚硝化剂可能会分解和/或反应导致亚硝胺污染。亚硝胺是在亚硝酸盐离子存在的情况下由二级胺和酰胺产生的，并且被认为具有致癌性。酰基肌氨酸产生的特定亚硝胺是N-亚硝基肌氨酸。一旦进入人体，亚硝胺会被细胞色素P-450酶激活。它们随后被认为通过在氮和氧原子上形成DNA加合物来诱导其致癌效应。(L1889, L1890, A2878, A2879, A2880, A2881)

While acyl sarcosines themselves are not toxic, they are nitrosating agents. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. The particular nitrosamine produced by acyl sarcosines is N-nitrososarcosine. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880, A2881)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

无致癌性迹象（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity (not listed by IARC). (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

酰基肌氨酸可能会对皮肤和眼睛造成刺激。它们还可能反应生成N-亚硝基肌氨酸，据信这是致癌的。

Acyl sarcosines may cause irritation to the skin and eyes. They may also react to produce N-nitrososarcosine, which is believed to be carcinogenic. (A2881)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（A2881）；吸入（A2881）；皮肤给药（A2881）

Oral (A2881) ; inhalation (A2881) ; dermal (A2881)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

酰基肌氨酸可能会刺激皮肤和眼睛。

Acyl sarcosines may cause irritation to the skin and eyes. (A2881)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为产物：
  描述：

  五甲基呋喃溴酸酯 、 甲胺基乙氰 在 sodium methylate 、 硫酸 作用下， 以 甲醇 为溶剂， 反应 9.0h， 以76%的产率得到肉豆蔻酰肌氨酸
  参考文献：
  名称：

  合成N-脂肪酰基氨基酸的方法

  摘要：

  一种合成N-脂肪酰基氨基酸的方法，以脂肪酸酯和氨基腈为原料，甲醇钠或乙醇钠为催化剂，在氮气保护下加热后调节pH值为酸性；经冷藏后过滤反应液后，将所得固体减压蒸馏，收集馏分置于碱液中水解制备得到N-脂肪酰基氨基酸盐或将收集馏分酸化制备得到N-脂肪酰基氨基酸。本发明采用氨基腈和脂肪酸酯为原料制备高纯度的N-脂肪酰基氨基酸，原料便宜，设备简单，生产过程废水少。

  公开号：

  CN105348133A

文献信息

• AhR mediators
  申请人：Krutmann Jean

  公开号：US20090028804A1

  公开（公告）日：2009-01-29

  The invention relates to a method for finding and assessing agonists [and] antagonists of the aryl hydrocarbon receptor (Ah receptor; AhR), to the agonists and antagonists themselves and to uses thereof.

  这项发明涉及一种用于寻找和评估芳香族羟基化合物受体（Ah受体；AhR）的激动剂和拮抗剂的方法，以及这些激动剂和拮抗剂本身及其用途。
• 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。
• [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES<br/>[FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DES MONOTERPÈNES
  申请人：NEONC TECHNOLOGIES INC

  公开号：WO2011109635A1

  公开（公告）日：2011-09-09

  The present invention provides a process for purifying a monoterpene or sesquiterpene having a purity greater than about 98.5% (w/w) The process comprises the steps of derivatizing the monoterpene (or sesquiterpene) to produce a monoterpene (or sesquiterpene) derivative, separating the monoterpene (or sesquiterpene) derivative, and releasing the monoterpene (or sesquiterpene) from the derivative Also encompassed by the scope of the present invention is a pharmaceutical composition comprising a monoterpene (or sesquiterpene) having a purity greater than about 98.5% (w/w) The purified monoterpene can be used to treat a disease such as cancer The present monoterpene (or sesquiterpene) may be administered alone, or may be co-administered with radiation or other therapeutic agents, such as chemotherapeutic agents.

  本发明提供了一种用于纯化纯度大约高于98.5%（质量百分比）的单萜或倍半萜的过程。该过程包括将单萜（或倍半萜）衍生化以产生单萜（或倍半萜）衍生物，分离单萜（或倍半萜）衍生物，并从衍生物中释放单萜（或倍半萜）。本发明范围还涵盖了一种含有纯度大约高于98.5%（质量百分比）的单萜（或倍半萜）的药物组合物。纯化的单萜可用于治疗癌症等疾病。目前的单萜（或倍半萜）可以单独使用，也可以与放射线或其他治疗剂（如化疗药物）联合使用。
• Preparation of N-acyl amino carboxylic acids, amino carboxylic acids and their derivatives by metal-catalyzed carboxymethylation in the presence of a promoter
  申请人：——

  公开号：US20020058834A1

  公开（公告）日：2002-05-16

  A process for the preparation of amino carboxylic acids, N-acyl amino carboxylic acids, or derivatives thereof by carboxymethylation of an amide, amide precursor or amide source compound in the presence of a carboxymethylation catalyst precursor and a promoter is provided. A carboxymethylation reaction mixture is formed by introducing a promoter, an amide, amide precursor or amide source compound, carbon monoxide, hydrogen, an aldehyde or aldehyde source compound, and a carboxymethylation catalyst precursor into a carboxymethylation reaction zone. In a preferred embodiment, the promoter is a supported noble metal promoter. In another preferred embodiment, the amide compound and aldehyde are selected to yield an N-acyl amino carboxylic acid which is readily converted to N-phosphonomethyl)glycine, or a salt or ester thereof.

  提供了一种通过在存在羧甲基化催化剂前体和促进剂的情况下，通过羧甲基化酰胺、酰胺前体或酰胺源化合物的羧甲基化制备氨基羧酸、N-酰基氨基羧酸或其衍生物的方法。通过将促进剂、酰胺、酰胺前体或酰胺源化合物、一氧化碳、氢气、醛或醛源化合物以及羧甲基化催化剂前体引入羧甲基化反应区域形成羧甲基化反应混合物。在一种首选实施例中，促进剂是支持的贵金属促进剂。在另一种首选实施例中，所选的酰胺化合物和醛可产生一种易于转化为N-磷酸甲基)甘氨酸或其盐或酯的N-酰基氨基羧酸。
• IMIDAZOLIUM ALKYL (METH)ACRYLATE POLYMERS
  申请人：Garcia Castro Ivette

  公开号：US20090060859A1

  公开（公告）日：2009-03-05

  The present invention relates to the use of imidazolium alkyl(meth)acrylate homo- and copolymers in cosmetic preparations and to the corresponding cosmetic preparations.

  本发明涉及在化妆品制剂中使用咪唑烷基（甲基）丙烯酸酯同聚物和共聚物，以及相应的化妆品制剂。