丙酮-2-14C | 19573-08-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 丙酮-2-14C
• 中文别名: 14C-丙酮
• 英文名称: acetone-<2-¹⁴C>
• 英文别名: acetone；[2-¹⁴C]acetone；[2-14C]acetone；(14C)-acetone；acetone；[2-¹⁴C]propan-2-one；Acetone-2-14C；(214C)propan-2-one
• CAS: 19573-08-1
• 化学式: C₃H₆O
• 分子量: 60.069
• InChiKey: CSCPPACGZOOCGX-YZRHJBSPSA-N

物化性质

• 闪点：
  -17 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  F,Xi,R
• 安全说明：
  S16,S26,S36/37/39
• 危险类别码：
  R41,R11,R37/38
• 危险品运输编号：
  UN 2910 7

反应信息

• 作为反应物：
  描述：

  丙酮-2-14C 生成 2-oxo(214C)propanal
  参考文献：
  名称：

  CLELLAND, JAMES D.;THORNALLEY, PAUL J., J. LABELL. COMPOUNDS AND RADIOPHARM., 28,(1990) N2, C. 1455-1464

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 丙酮-2-14C
  参考文献：
  名称：

  Radioactive Hydrocarbons

  摘要：

  DOI：

  10.1126/science.104.2704.402

文献信息

• PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE
  申请人：Signal Pharmaceuticals, LLC

  公开号：US20130142873A1

  公开（公告）日：2013-06-06

  Provided herein are compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one, solid forms, isotopologues and metabolites thereof, and methods of their use for the treatment of a disease, disorder, or condition.

  本文提供了7-(6-(2-羟基丙醇基)吡啶-3-基)-1-((反式)-4-甲氧基环己基)-3,4-二氢吡嗪[2,3-b]吡嗪-2(1H)-酮的组合物、固态形式、同位素及其代谢物，并且提供了它们用于治疗疾病、疾病或症状的方法。
• Method for the enzymatic production of 3-hydroxy-3-methylbutyric acid from acetone and acetyl-CoA
  申请人：Scientist of Fortune S.A.

  公开号：EP2940141A1

  公开（公告）日：2015-11-04

  Described is a method for the production of 3-hydroxy-3-methylbutyric acid (also referred to as beta-hydroxyisovalerate or HIV) from acetone and a compound which provides an activated acetyl group comprising the enzymatic conversion of acetone and a compound which provides an activated acetyl group into 3-hydroxy-3-methylbutyric acid. The conversion makes use of an enzyme which is capable of catalyzing the formation of a covalent bond between the carbon atom of the oxo (i.e. the C=O) group of acetone and the methyl group of the compound which provides an activated acetyl group. Preferably, the enzyme employed in the process is an enzyme with the activity of a HMG CoA synthase (EC 2.3.3.10) and/or a PksG protein and/or an enzyme with the activity of a C-C bond cleavage/condensation lyase, such as a HMG CoA lyase (EC 4.1.3.4). Also described are organisms which are able to produce 3-hydroxy-3-methylbutyric acid from acetone, a compound which provides an activated acetyl group, the use of the above-mentioned enzymes and organisms for the production of 3-hydroxy-3-methylbutyric acid as well as the use of acetone for the production of 3-hydroxy-3-methylbutyric acid.

  本方法涉及从丙酮和提供活化乙酰基的化合物中生产3-羟基-3-甲基丁酸（也称为β-羟基异戊酸或HIV）的方法，包括将丙酮和提供活化乙酰基的化合物经酶催化转化为3-羟基-3-甲基丁酸。转化利用一种能够催化丙酮的羰基（即C=O）基团的碳原子和提供活化乙酰基的化合物的甲基团之间形成共价键的酶。最好采用的酶是具有HMG CoA合成酶（EC 2.3.3.10）和/或PksG蛋白质活性以及C-C键裂解/缩合裂解酶活性（例如HMG CoA裂解酶（EC 4.1.3.4））的酶。本方法还涉及能够从丙酮和提供活化乙酰基的化合物中产生3-羟基-3-甲基丁酸的生物体，以及上述酶和生物体用于生产3-羟基-3-甲基丁酸的用途，以及丙酮用于生产3-羟基-3-甲基丁酸的用途。
• The syntheses of [¹⁴C]BMS-823778 for use in a human ADME clinical study and of [¹³CD₃¹³CD₂]BMT-094817, a stable-isotope labeled standard of a newly detected human metabolite
  作者：Brad D. Maxwell、Scott B. Tran、Michael Lago、Jun Li、Samuel J. Bonacorsi

  DOI：10.1002/jlcr.3383

  日期：2016.5.30

  distribution, metabolism, and excretion (ADME) study. The HCl salt form of [(14) C]BMS-823778 was synthesized in two steps from commercially available [2-(14) C]acetone. The radiochemical purity of the synthesized [(14) C]BMS-823778 after dilution with unlabeled clinical-grade BMS-823778 was 99.5% having a specific activity of 7.379 μCi/mg. One result of the human ADME study was the detection of a new human

  2 型糖尿病是一个重要的全球健康问题。为了支持 BMS-823778 作为 11β-羟基类固醇脱氢酶 1 抑制剂的开发，用于治疗 2 型糖尿病，需要合成碳 14 标记的材料以用于人体吸附、分布、代谢和排泄 (ADME)学习。[(14) C] BMS-823778 的 HCl 盐形式是从市售的 [2-(14) C] 丙酮中分两步合成的。用未标记的临床级 BMS-823778 稀释后合成的 [(14) C]BMS-823778 的放射化学纯度为 99.5%，比活为 7.379 μCi/mg。人类 ADME 研究的一个结果是检测到一种新的人类代谢物 BMT-094817。为支持临床样本中 BMT-094817 的定量，有必要合成 [(13) CD3 (13) CD2 ]BMT-094817 用作液相色谱/质谱标准。[(13) CD3 (13) CD2 ]BMT-094817 由 [(13) CD3
• Biosynthesis of berninamycin: Incorporation of 13C-labeled amino acids
  作者：Raymond C. M. Lau、Kenneth L. Rinehart

  DOI：10.1021/ja00134a004

  日期：1995.7

  Two-dimensional NMR and FABMS/MS studies agree with the structure for berninamycin A proposed by Abe et al. (Tetrahedron Lett. 1988, 29, 1401-1404). Biosynthetic studies with C-13-enriched amino acids confirm our earlier results that the dehydroalanine units are formed by dehydration of serine. The oxazoles are formed by condensing a threonine unit with a serine or another threonine with dehydration, and the thiazole is formed by combining a cysteine with a serine with dehydration. The biosynthesis of the pyridine ring is similar to piperidine/hydroxypyridine ring formation in thiostrepton and nosiheptide. The biogenesis of berninamycin A is also discussed.
• Boulton, Keith; Shirley, Ian; Smith, Ian H., Journal of the Chemical Society. Perkin transactions I, 1986, p. 1817 - 1824
  作者：Boulton, Keith、Shirley, Ian、Smith, Ian H.、Whiting, Donald A.

  DOI：——

  日期：——