sarcosine t-butyl ester hydrochloride | 5616-81-9

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 酯类氨基酸
• 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
• 英文名称: sarcosine t-butyl ester hydrochloride
• 英文别名: sarcosine tert-butyl ester hydrochloride；tert-butyl methylglycinate hydrochloride；tert-butyl 2-(methylamino)acetate hydrochloride；N-methylglycine tert-butyl ester hydrochloride；tert-butyl N-methylglycinate hydrochloride；methylamino-acetic acid tert-butyl ester hydrochloride；sarcosyl tert-butyl ester hydrochloride；tert-butyl sarcosinate hydrochloride；Tert-butyl 2-(methylamino)ethanoate; hydron; chloride；tert-butyl 2-(methylamino)acetate;hydron;chloride
• CAS: 5616-81-9
• 化学式: C₇H₁₆NO₂*Cl
• mdl: MFCD00080936
• 分子量: 181.663
• InChiKey: RNLQHMIDSCYLAK-UHFFFAOYSA-N

物化性质

• 熔点：
  137-141 °C (dec.)
• 沸点：
  168.5±23.0 °C(Predicted)
• 密度：
  0.928±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇（0.3g溶于2mLMeOH）。

计算性质

• 辛醇/水分配系数(LogP)：
  0.48
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 安全说明：
  S24/25
• 危险品运输编号：
  NONH for all modes of transport
• 海关编码：
  2922499990
• 包装等级：
  II
• 危险类别：
  3
• 危险性防范说明：
  P210,P261,P305+P351+P338
• 危险性描述：
  H225,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  sarcosine t-butyl ester hydrochloride 在 palladium 10% on activated carbon 盐酸 、 sodium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 乙醇 、 水 、 异丙醇 、 甲苯 为溶剂， 反应 21.0h， 生成 tert-butyl 4-[3-[[3-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfamoyl]anilino]methylidene]-2-oxo-1H-indol-4-yl]piperazine-1-carboxylate
  参考文献：
  名称：

  WO2008/155421

  摘要：

  公开号：

文献信息

• Acetylenic &agr;-amino acid-based sulfonamide hydroxamic acid tace inhibitors
  申请人：American Cyanamid Company

  公开号：US06225311B1

  公开（公告）日：2001-05-01

  Compounds of the formula: are useful in treating disease conditions mediated by TNF-&agr;, such as rheumatoid arthritis, osteoarthritis, sepsis, AIDS, ulcerative colitis, multiple sclerosis, Crohn's disease and degenerative cartilage loss.

  该式化合物在治疗由TNF-α介导的疾病条件中很有用，如类风湿性关节炎、骨关节炎、败血症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和软骨退行性损失。
• [EN] PYRROLOPYRIMIDINES<br/>[FR] PYRROLOPYRIMIDINES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009016132A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds or pharmaceutically-acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to compounds that are polo-like kinase (PLKs) inhibitors useful for the treatment of disease states mediated by PLK, especially PLK4, in particular such compounds that are useful in the treatment of pathological processes which involve an aberrant cellular proliferation, such as tumour growth, rheumatoid arthritis, restenosis and atherosclerosis.

  本发明涉及化合物或其药用盐，制备它们的方法，含有它们的药物组合物以及它们在治疗中的用途。该发明特别涉及一类极化样激酶（PLKs）抑制剂化合物，用于治疗由PLK介导的疾病状态，特别是PLK4，特别是在治疗涉及异常细胞增殖的病理过程中有用的化合物，如肿瘤生长、类风湿性关节炎、再狭窄和动脉粥样硬化。
• Synthesis and Evaluation of Carbamate Prodrugs of a Phenolic Compound
  作者：Yasushi Igarashi、Erika Yanagisawa、Toshihiro Ohshima、Shuichi Takeda、Masaki Aburada、Ken-ichi Miyamoto

  DOI：10.1248/cpb.55.328

  日期：——

  A series of carbamates of the phenolic compound 1 were prepared and evaluated in vivo as its prodrug. Each carbamate was orally administered to rats, and plasma concentrations of the parent compound 1 were measured with the passage of time. We judged which carbamate was suitable for the prodrug of 1 from both the AUC value of 1 and absence of the carbamate in plasma. The AUC value of 1 after oral administration of 2b was approximately 40-fold higher than that for an administration of 1, and the bioconversion from 2b to 1 was excellent. As a whole, di-substituted carbamates resulted in higher plasma concentrations of 1 than did mono-substituted ones. However di-substituted carbamates were almost always detected in plasma. As a result, we found that the ethycarbamoyl derivative 2b demonstrates the best prodrug property in this series.

  酚类化合物1的一系列氨基甲酸酯被制备并作为前药在体内进行了评估。每种氨基甲酸酯被口服给予大鼠，并随着时间的推移测量母体化合物1的血浆浓度。我们从1的AUC值和血浆中无氨基甲酸酯存在这两方面来判断哪种氨基甲酸酯适合作为1的前药。口服给予2b后1的AUC值大约是直接给予1的40倍，且2b向1的生物转化非常出色。总体而言，双取代氨基甲酸酯导致1的血浆浓度高于单取代氨基甲酸酯。然而双取代氨基甲酸酯几乎总是被检测到在血浆中存在。因此，我们发现乙氨基甲酸酯衍生物2b在这一系列中显示出最佳的前药特性。
• [EN] LIGAND-DRUG-CONJUGATE COMPRISING A SINGLE MOLECULAR WEIGHT POLYSARCOSINE<br/>[FR] CONJUGUÉ LIGAND-MÉDICAMENT COMPRENANT UNE POLYSARCOSINE DE MASSE MOLÉCULAIRE UNIQUE
  申请人：MABLINK BIOSCIENCE

  公开号：WO2019081455A1

  公开（公告）日：2019-05-02

  The invention relates to a Ligand-Drug-Conjugate (LDC) comprising a single molecular weight homopolymer, in particular a single molecular weight polysarcosine.

  这项发明涉及一种配体-药物共轭物（LDC），包括单一分子量同聚物，特别是单一分子量聚肌氨酸。
• Enantioselective Synthesis of Aurilide, a Cytotoxic 26-Membered Cyclodepsipeptide of Marine Origin
  作者：Tsuyoshi Mutou、Kiyotake Suenaga、Tatsuya Fujita、Takashi Itoh、Noboru Takada、Kozue Hayamizu、Hideo Kigoshi、Kiyoyuki Yamada

  DOI：10.1055/s-1997-753

  日期：1997.2

  Aurilide (1), a novel cyclodepsipeptide isolated from the Japanese sea hare Dolabella auricularia, was enantioselectively synthesized, and the present result unambiguously confirmed its stereostructure. In addition, the cytotoxicity of 1 was evaluated by employing synthetic 1.

  Aurilide（1），一种从日本海兔Dolabella auricularia中分离得到的新的环状缩肽，经过对映选择性合成，并通过当前结果明确确认其立体结构。此外，通过合成1评估了1的细胞毒性。