Coenzyme A, S-(hydrogen methylpropanedioate) | 10251-08-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Coenzyme A, S-(hydrogen methylpropanedioate)
• 英文别名: 3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid
• CAS: 10251-08-8
• 化学式: C₂₅H₄₀N₇O₁₉P₃S
• 分子量: 867.6
• InChiKey: MZFOKIKEPGUZEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.4
• 重原子数：
  55
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  426
• 氢给体数：
  10
• 氢受体数：
  24

文献信息

• Therapy of multiple sclerosis, inflammatory neurological diseases and neurodegenerative diseases with 5'-deoxyadenosylcobalamin, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy
  申请人：Boucher James Layne

  公开号：US20110020311A1

  公开（公告）日：2011-01-27

  A novel etiological hypothesis for Multiple Sclerosis (MS) is proposed describing autoimmune attack of ATP: Cob (I) alamin adenosyltransferase (ATR) thereby inhibiting synthesis of (5′-deoxy-5′-adenosyl) cobamide (referred to as 5′-deoxyadenosylcobalmin or AdoCbl) from Vitamin B 12 providing a basis for therapeutic design and diagnostic methods. Pharmaceutical compositions for therapy of MS, inflammatory neurological diseases and neurodegenerative diseases utilizing AdoCbl, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy are described. Encompassed in embodiments are diagnostic and therapeutic methods based on the amino acid sequence which binds AdoCbl in ATR. A scoping experiment in therapy, parenteral injection of AdoCbl, has been accomplished with a clinically definite MS patient in the Secondary Progressive stage of MS. The dramatic improvement in the patient's condition strongly supports the etiological hypothesis. Also encompassed in embodiments is the use of bacterial ATR type enzymes for diagnostics. The etiological hypothesis should not limit or restrict this patent.
• Methylmalonic acid compositions, biological methods for making same, and microorganisms for making same
  申请人：GeneSys Consulting, LLC

  公开号：US20160230198A1

  公开（公告）日：2016-08-11

  Microorganisms and methods are provided for biological synthesis of methylmalonic acid and derivatives thereof. Engineered microorganisms such as bacteria, yeast, and fungi are configured to produce or overproduce methylmalonic acid and/or derivatives thereof. Methods involve the use of such engineered microorganisms to produce methylmalonic acid and/or derivatives thereof from carbon sources. Methods may include production in a fermenter and optional purification of the product.