5-acetylserotonin | 46505-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-acetylserotonin
• 英文别名: acetylserotonin；O-Acetylserotonin；O-Acetyl-seotonin；5-acetoxy-3-(2-amino-ethyl)-indole；[3-(2-aminoethyl)-1H-indol-5-yl] acetate
• CAS: 46505-63-9
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: AEZHDSNWJRKCNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-乙氧基-2,2,2-三氟乙醇 、 5-acetylserotonin 生成 Acetic acid 1-trifluoromethyl-2,3,4,9-tetrahydro-1H-β-carbolin-6-yl ester
  参考文献：
  名称：

  MAKI, YASUO;KIMOTO, HIROSHI;FUJII, SHOZO;NISHIDA, MASAKAZU;COHEN, LOUIS A+, J. FLUOR. CHEM., 43,(1989) N, C. 189-206

  摘要：

  DOI：
• 作为产物：
  描述：

  5-苄氧基色胺 在 palladium on activated charcoal 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 17.0h， 生成 5-acetylserotonin
  参考文献：
  名称：

  Novel tetrahydro-β-carboline-1-carboxylic acids as inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)

  摘要：

  A structure-activity relationship study was conducted on a series of tetrahydro-beta-carboline-1-carboxylic acid analogs in order to identify the key functionality responsible for activity against the mitogen-activated protein kinase-activated protein kinase 2 enzyme (MK-2). The compounds were further evaluated for their ability to inhibit TNF alpha production in U937 cells and in vivo. These compounds represent a novel structural class of compounds capable of inhibiting MK-2 with remarkable selectivity. (c) 2007 Elsevier Ltd. All rialuts reserved.

  DOI：

  10.1016/j.bmcl.2007.05.070

文献信息

• [EN] ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER<br/>[FR] PROMÉDICAMENTS ACÉTYLÉS POUR ADMINISTRATION À TRAVERS LA BARRIÈRE HÉMATO-ENCÉPHALIQUE
  申请人：MASSACHUSETTS GEN HOSPITAL

  公开号：WO2019204808A1

  公开（公告）日：2019-10-24

  The present disclosure relates to pharmaceutical compositions including a compound derived from a parent compound having a hydroxyl or amino moiety, wherein the hydroxyl in the parent compound is presented as an ester in the compound or the amino in the parent compound is presented as an amide in the compound, and their use to prevent or treat neurological disease.

  本公开涉及包括从具有羟基或氨基团的母化合物衍生的化合物的制药组合物，其中母化合物中的羟基在化合物中呈酯形式，或母化合物中的氨基在化合物中呈酰胺形式，并且它们的用途是预防或治疗神经系统疾病。
• [EN] SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN<br/>[FR] INHIBITEURS DE SÉPIAPTÉRINE RÉDUCTASE POUR LE TRAITEMENT DE LA DOULEUR
  申请人：HERCULES TECHNOLOGY MAN CO V INC

  公开号：WO2011047156A1

  公开（公告）日：2011-04-21

  Disclosed herein are small molecule heterocyclic inhibitors of sepiapterin reductase (SPR), and prodrugs and pharmaceutically acceptable salts thereof. The Also featured are pharmaceutical compositions of the compounds and uses of these compounds for the treatment or prevention of pain (e.g., inflammatory pain, nociceptive pain, functional pain, and neuropathic pain).

  本文介绍的是对丝氨酸脱氢酶（SPR）的小分子杂环抑制剂，以及它们的前药和药用盐。还包括这些化合物的药物组合物以及这些化合物用于治疗或预防疼痛（如炎症性疼痛、伤害性疼痛、功能性疼痛和神经病理性疼痛）的用途。
• MAKI, YASUO;KIMOTO, HIROSHI;FUJII, SHOZO;NISHIDA, MASAKAZU;COHEN, LOUIS A+, J. FLUOR. CHEM., 43,(1989) N, C. 189-206
  作者：MAKI, YASUO、KIMOTO, HIROSHI、FUJII, SHOZO、NISHIDA, MASAKAZU、COHEN, LOUIS A+

  DOI：——

  日期：——
• HINO, TOHRU;LAI, ZIPING;SEKI, HIROKO;HARA, RITSUKO;KURAMOCHI, TADAO;NAKAG+, CHEM. AND PHARM. BULL., 37,(1989) N0, C. 2596-2600
  作者：HINO, TOHRU、LAI, ZIPING、SEKI, HIROKO、HARA, RITSUKO、KURAMOCHI, TADAO、NAKAG+

  DOI：——

  日期：——
• TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH
  申请人：STAMETS Paul Edward

  公开号：US20210069170A1

  公开（公告）日：2021-03-11

  Described herein are neurotrophic and nootropic compositions and methods for treating subjects with such compositions. In one aspect the composition comprises one or more tryptamines or in pure form or extracts from psilocybin containing mushrooms, or combinations thereof optionally combined with one or more phenethylamines or amphetamines in pure form or extracts from a plant or mushroom, or combinations thereof, optionally one or more erinacines or hericenones in pure form, extracts from Hericium mushroom species (e.g., H. erinaceus, H. coralloides, H. ramosum ) or combinations thereof, optionally one or more cannabinoids in pure form or extracts from Cannabis sativa, Cannabis sativa, Cannabis indica , or Cannabis ruderalis , optionally, one or more adversive compounds, and optionally one or more pharmaceutically acceptable excipients.