泛酸钙杂质 | 13147-41-6

• 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: 泛酸钙杂质
• 英文名称: 4'-phosphopantothenate
• 英文别名: N-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyryl)-β-alanine；N-(2-Hydroxy-3,3-dimethyl-4-phosphonooxy-butyryl)-β-alanin；O⁴-Phosphono-DL-pantothensaeure；Pantothensaeure-4'-phosphat；3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid
• CAS: 13147-41-6
• 化学式: C₉H₁₈NO₈P
• 分子量: 299.218
• InChiKey: XHFVGHPGDLDEQO-UHFFFAOYSA-N

物化性质

• 密度：
  1.487±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  153
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-[N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propionic acid 在 pantothenate kinase 作用下， 生成 泛酸钙杂质
  参考文献：
  名称：

  Stable pantetheine derivatives for the treatment of pantothenate kinase associated neurodegeneration (pkan) and methods for the synthesis of such compounds

  摘要：

  该发明涉及(S)-酰基-4'-磷酰泛醇衍生物，其合成方法，以及这类化合物的相关医学用途。首选的医学用途与治疗神经退行性疾病有关，如PKAN。

  公开号：

  EP2868662A1

文献信息

• [EN] CYCLIC PHOSPHATES AND CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF NEUROLOGIC DISORDERS<br/>[FR] PHOSPHATES CYCLIQUES ET PHOSPHORAMIDATES CYCLIQUES POUR LE TRAITEMENT DE TROUBLES NEUROLOGIQUES
  申请人：RETROPHIN INC

  公开号：WO2017099822A1

  公开（公告）日：2017-06-15

  Compounds having the following formula (I): and pharmaceutically acceptable salts thereof, wherein A, B, D, E and R1 are as defined herein, are provided. Methods comprising the use of such compounds for the treatment of neurological disorders, such as pantothenate kinase-associated neurodegeneration, and pharmaceutical compositions containing such compounds, and their use in the treatment of neurological disorders, also are provided.

  提供具有以下化学式（I）的化合物及其药用可接受的盐，其中A、B、D、E和R1的定义如本文所述。提供了使用这些化合物治疗神经系统疾病（如泛酸激酶相关性神经退行性疾病）的方法，以及含有这些化合物的药物组合物，以及它们在治疗神经系统疾病中的用途。
• [EN] SOLID FOSMETPANTOTENATE FORMULATIONS<br/>[FR] PRÉPARATIONS SOLIDES DE FOSMÉTPANTOTHÉNATE
  申请人：RETROPHIN INC

  公开号：WO2018148313A1

  公开（公告）日：2018-08-16

  Solid formulations comprising a compound having formula (I) or a pharmaceutically acceptable salt thereof, and their use in the treatment of neurologic disorders (such as pantothenate kinase-associated neurodegeneration), are provided.

  提供了包含具有公式（I）或其药学上可接受的盐的化合物的固体制剂，以及它们在治疗神经系统疾病（如泛酸激酶相关神经退行性疾病）中的用途。
• NOVEL PANTOTHENATE KINASE GENE AND USE THEREOF
  申请人：Kaneka Corporation

  公开号：EP1876235A1

  公开（公告）日：2008-01-09

  The present invention provides: a polypeptide, having a pantothenate kinase activity, which is derived from a Corynebacterium microorganism highly capable of producing a pantothenic acid derivative; DNA encoding the polypeptide; a recombinant vector having the DNA introduced therein; and a transformant having the DNA or the recombinant vector introduced therein. The present invention makes it possible to produce pantothenic acid derivatives such as coenzyme A in large quantities by a biological method, thereby making it possible to provide safe and high-quality pantothenic acid derivatives that are demanded in applications such as medicines, functional foods, and the like.

  本发明提供了：一种具有泛酸激酶活性的多肽，该多肽来源于一种能够生产泛酸衍生物的棒状杆菌微生物；编码该多肽的DNA；导入该DNA的重组载体；以及导入该DNA或重组载体的转化体。本发明使通过生物方法大量生产泛酸衍生物（如辅酶 A）成为可能，从而使提供安全优质的泛酸衍生物成为可能，这些泛酸衍生物在药物、功能食品等应用中都有需求。
• 57. The synthesis of pantothenic acid-2? and -4? phosphates as possible degradation products of coenzyme A
  作者：J. Baddiley、E. M. Thain

  DOI：10.1039/jr9510000246

  日期：——
• CYCLIC DEPSIPEPTIDE SYNTHASES, GENES THEREOF AND MASS PRODUCTION SYSTEM OF CYCLIC DEPSIPEPTIDE
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1215281B1

  公开（公告）日：2006-05-24