toluene-4-sulfonic acid (S)-2-benzyloxycarbonylamino-1-methyl-ethyl ester | 251325-34-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: toluene-4-sulfonic acid (S)-2-benzyloxycarbonylamino-1-methyl-ethyl ester
• 英文别名: (S)-1-[(benzyloxycarbonyl)amino]-2-propanol tosylate；[(2S)-1-(phenylmethoxycarbonylamino)propan-2-yl] 4-methylbenzenesulfonate
• CAS: 251325-34-5
• 化学式: C₁₈H₂₁NO₅S
• 分子量: 363.434
• InChiKey: VQLUPQZRPTXJSH-HNNXBMFYSA-N

物化性质

• 沸点：
  543.9±43.0 °C(Predicted)
• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  toluene-4-sulfonic acid (S)-2-benzyloxycarbonylamino-1-methyl-ethyl ester 在 potassium tert-butylate 作用下， 生成 benzyl (R)-2-methylaziridine-1-carboxylate
  参考文献：
  名称：

  Development of a Supply Route for the Synthesis of an iNOS Inhibitor: Complications of the Key S_N2 Reaction

  摘要：

  The original medicinal chemistry synthesis of an iNOS inhibitor presented several challenges that had to be overcome in order to constitute a supply route suitable for operation on a multikilo scale. The key step in the synthesis is an S(N)2 reaction that assembles the chiral carbon framework, but this reaction proved far more complex than we anticipated. significant improvements were made to all stages. The modified route performed well over two pilot-plant campaigns and delivered over 250 kg of the active pharmaceutical ingredient (API).

  DOI：

  10.1021/op900108b
• 作为产物：
  描述：

  benzyl (S)-(2-hydroxypropyl)carbamate 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 以98%的产率得到
  参考文献：
  名称：

  [EN] METHODS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL CONDITIONS
  [FR] PROCEDES DESTINES AU TRAITEMENT ET A LA PREVENTION DE TROUBLES GASTRO-INTESTINAUX

  摘要：

  公开号：

  WO2004012726A3

文献信息

• Neuroprotective treatment methods using selective iNOS inhibitors
  申请人：Pharmacia Corporation

  公开号：US20030119826A1

  公开（公告）日：2003-06-26

  Therapeutic methods for the prevention and treatment of neurodegenerative conditions are described, the methods including administering to a subject in need thereof a neuroprotective effective amount of a selective inhibitor of inducible nitric oxide synthase.

  描述了预防和治疗神经退行性疾病的治疗方法，其中包括向需要的对象施用一种选择性抑制诱导型一氧化氮合酶的神经保护有效量。
• Agents and methods for treatment of cancer
  申请人：——

  公开号：US20030013702A1

  公开（公告）日：2003-01-16

  Agents and methods for chemoprevention and treatment of neoplasia are described, the agents including a selective inhibitor of inducible nitric oxide synthase and a combination of a selective inhibitor of inducible nitric oxide synthase and an inhibitor of cylcooxygenase-2 in a pharmaceutical composition. The agents and methods are used for chemoprevention and treatment of neoplasia including colorectal cancer and other cancers affecting epithelial cells throughout the body. The agents can also be used to treat the fibrosis that occurs with radiation therapy, as well as adenomatous polyps, including those with familial adenomatous polyposis (FAP).

  描述了用于化学预防和治疗肿瘤的药剂和方法，其中药剂包括一种选择性抑制诱导型一氧化氮合酶的药剂，以及一种选择性抑制诱导型一氧化氮合酶和环氧合酶-2的抑制剂的组合物在制药组合物中。这些药剂和方法用于化学预防和治疗包括结直肠癌和其他影响全身上皮细胞的肿瘤，还可用于治疗放射治疗引起的纤维化，以及腺瘤性息肉，包括家族性腺瘤性息肉症（FAP）的腺瘤。
• Ophthalmologic treatment methods using selective iNOS inhibitors
  申请人：——

  公开号：US20030109522A1

  公开（公告）日：2003-06-12

  Therapeutic methods for the prevention and treatment of ophthalmologic conditions are described, the methods including administering to a subject in need thereof a selective inhibitor of inducible nitric oxide synthase.

  描述了用于预防和治疗眼科疾病的治疗方法，其中包括向需要的受试者施用可选择的诱导型一氧化氮合酶抑制剂。
• [EN] (2R, 5R)-6N-(1-IMINOETHYL)-2,6-DIAMINO-5-METHYL-4-THIOHEXANOIC ACID; SALTS THEREOF; A PROCESS FOR THEIR PREPARATION; PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDECINE<br/>[FR] ACIDE (2R, 5R) - 6N- (1-IMINOETHYL)-2, 6-DIAMINO-5-METHYL-4-THIOHEXANOIQUE; SELS DE CE DERNIER, PROCEDE DE PREPARATION CORRESPONDANT; COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSES ET UTILISATION DE CES DERNIERS EN MEDECINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005005377A1

  公开（公告）日：2005-01-20

  ABSTRACT A process for making a medicinal vial in which a vial and a closure are moulded in parallel in respective vial and closure moulds, then the closure and vial are automatically assembled together, all in a sterile environment. An apparatus for performing this process is also provided. By the process and apparatus of the invention sealed vials with a sterile interior may be made

  摘要：本发明涉及一种制作药用瓶的方法，其中瓶和封闭件分别在瓶模和封闭件模中并行成型，然后自动将封闭件和瓶组装在一起，所有这些都在无菌环境中完成。本发明还提供了一种执行此过程的装置。通过本发明的方法和装置，可以制作具有无菌内部的密封瓶。
• Amidino compound and salts thereof useful as nitric oxide synthase inhibitors
  申请人：——

  公开号：US20020019563A1

  公开（公告）日：2002-02-14

  The present invention relates to S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine, or a pharmaceutically acceptable salt thereof.

  本发明涉及S-[2-(1-亚氨基乙基)氨基乙基]-2-甲基-L-半胱氨酸或其药学上可接受的盐。