(S)-2-amino-3,3-dimethylpentanoic acid hydrochloride | 1214274-48-2

• 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: (S)-2-amino-3,3-dimethylpentanoic acid hydrochloride
• 英文别名: L-β-methylisoleucine hydrochloride；(-)-β-Me-Ile hydrochloride；(S)-β-methylisoleucine hydrochloride；L-tert-amylglycine hydrochloride；Isoleucine, 3-methyl-, hydrochloride；(2S)-2-amino-3,3-dimethylpentanoic acid;hydrochloride
• CAS: 1214274-48-2
• 化学式: C₇H₁₅NO₂*ClH
• 分子量: 181.663
• InChiKey: HPBDVJKSWTVQHS-NUBCRITNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.26
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  63.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-amino-3,3-dimethylpentanoic acid hydrochloride 在 ammonium hydroxide 作用下， 以17.2 mg的产率得到(2S)-2-amino-3,3-dimethylpentanoic acid
  参考文献：
  名称：

  Diastereoselective Allylstannane Additions to (S)-5,6-Dihydro-2H-5-phenyloxazin-2-one. A Concise Synthesis of (S)-β-Methylisoleucine

  摘要：

  The addition of allyl stannanes to (S)-4,5-dihydro-5-phenyl-2H-oxazinone (3) was achieved under Bronsted acid catalysis to give 2-allylmorpholinones with high diastereoselectivity (up to dr 14.2:1). The product of dimethylallyltributylstannane addition to 3 was converted to L-beta-methylisoleucine, an alpha-amino acid residue found in the complex, biologically active marine-derived peptides polytheonamides A and B, and polydiscamides A-C.

  DOI：

  10.1021/ol1001126
• 作为产物：
  描述：

  (3S,5S)-3-(2-methylbut-3-en-2-yl)-5-phenylmorpholin-2-one 在 盐酸 、 氢气 、 palladium(II) hydroxide 、 水 作用下， 以 甲醇 、 水 为溶剂， 20.0~100.0 ℃ 、620.54 kPa 条件下， 反应 15.0h， 生成 (S)-2-amino-3,3-dimethylpentanoic acid hydrochloride
  参考文献：
  名称：

  Diastereoselective Allylstannane Additions to (S)-5,6-Dihydro-2H-5-phenyloxazin-2-one. A Concise Synthesis of (S)-β-Methylisoleucine

  摘要：

  The addition of allyl stannanes to (S)-4,5-dihydro-5-phenyl-2H-oxazinone (3) was achieved under Bronsted acid catalysis to give 2-allylmorpholinones with high diastereoselectivity (up to dr 14.2:1). The product of dimethylallyltributylstannane addition to 3 was converted to L-beta-methylisoleucine, an alpha-amino acid residue found in the complex, biologically active marine-derived peptides polytheonamides A and B, and polydiscamides A-C.

  DOI：

  10.1021/ol1001126

文献信息

• [EN] ARYLAMIDES AND METHODS OF USE THEREOF<br/>[FR] ARYLAMIDES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENZYME CORP

  公开号：WO2021113809A1

  公开（公告）日：2021-06-10

  The present disclosure relates to heterocyclic compounds, pharmaceutically acceptable salts thereof, and pharmaceutical preparations thereof. Also described herein are compositions and the use of such compounds in methods of treating diseases and conditions mediated by deficient CFTR activity, in particular cystic fibrosis.

  本公开涉及杂环化合物，其药用盐以及药物制剂。本文还描述了这些化合物的组成以及在治疗由CFTR活性不足介导的疾病和病况的方法中的使用，特别是囊性纤维化。