醋酸奋乃静 | 84-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 中文名称: 醋酸奋乃静
• 中文别名: 奋乃静醋酯
• 英文名称: thiopropazate
• 英文别名: 2-Chlor-10-(3-<4-(2-acetoxy-ethyl)-piperazinyl-(1)>-propyl)-phenothiazin；2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate
• CAS: 84-06-0
• 化学式: C₂₃H₂₈ClN₃O₂S
• 分子量: 446.013
• InChiKey: AIUHRQHVWSUTGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  bp0.1 214-218°
• 密度：
  1.1147 (rough estimate)
• 溶解度：
  2.00e-05 M
• 稳定性/保质期：

  SENSITIVE TO LIGHT; UNSTABLE IN HEAT /DIHYDROCHLORIDE/

• 解离常数：
  PKA= 7.3
• 保留指数：
  3480;3468;3468;3465

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

代谢

...通过主要由肝微粒体和其他药物代谢酶介导的氧化过程进行药物代谢...与葡萄糖醛酸的结合...是一个重要的代谢途径.../PRC：包括羟基化、脱甲基、亚砜形成等反应；侧链的代谢改变也可能发生。 /吩噻嗪类/

...METAB...BY OXIDATIVE PROCESSES MEDIATED LARGELY BY HEPATIC MICROSOMAL & OTHER DRUG-METABOLIZING ENZYMES. CONJUGATION WITH GLUCURONIC ACID...PROMINENT ROUTE.../PRC: REACTIONS INCL HYDROXYLATION, DEMETHYLATION, SULFOXIDE FORMATION; METABOLIC ALTERATIONS IN SIDE CHAIN MAY ALSO OCCUR. /PHENOTHIAZINES/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

增强巴比妥类药物的作用。/二氢氯化物/

...POTENTIATES THE ACTIONS OF BARBITURATES. /DIHYDROCHLORIDE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

可能会发生潜在危险性的癫痫发作/与哌嗪和盐酸硫丙嗪有关。

...POTENTIALLY DANGEROUS SEIZURES MAY OCCUR /WITH PIPERAZINE & THIOPROPAZATE HYDROCHLORIDE/.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

左旋多巴 & 硫必利/...当这些药物一起使用时，可能会相互抵消效果。/二氢氯化物/

...LEVODOPA & /THIOPROPAZATE/...MAY BLOCK THE EFFECTS OF EACH OTHER WHEN THESE DRUGS ARE ADMIN TOGETHER. /DIHYDROCHLORIDE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

/THIOPROPAZATE/...可能能够逆转GUANETHIDINE的抗高血压活性。/DIHYDROCHLORIDE/

/THIOPROPAZATE/...MAY BE ABLE TO REVERSE THE ANTIHYPERTENSIVE ACTIVITY OF GUANETHIDINE. /DIHYDROCHLORIDE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

吩噻嗪类药物能抑制射精而不影响勃起。/吩噻嗪/

PHENOTHIAZINES INHIBIT EJACULATION WITHOUT INTERFERING WITH ERECTION. /PHENOTHIAZINES/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

大约一半的常用吩噻嗪类药物的代谢物在尿液中找到，其余在粪便中。停药6个月后，尿液中仍可检测到各种代谢物。/吩噻嗪类药物/

APPROX HALF OF METABOLITES OF COMMONLY USED PHENOTHIAZINES ARE FOUND IN URINE & REST IN FECES. 6 MO AFTER DISCONTINUATION OF THESE DRUGS, VARIOUS METABOLITES ARE DETECTABLE IN URINE. /PHENOTHIAZINES/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

吩噻嗪类镇静剂迅速穿过胎盘，它们已在接受治疗的母亲的新生儿的尿液和组织中被测量到，但是直到最近才测量到母亲和胎儿的血液中含量非常低... /吩噻嗪类/

PHENOTHIAZINE TRANQUILIZERS CROSS PLACENTA RAPIDLY, & THEY HAVE BEEN MEASURED...IN URINE & TISSUES OF NEONATES OF TREATED MOTHERS, BUT VERY LOW BLOOD LEVELS OF MOTHERS & FETUSES HAVE BEEN MEASURED ONLY RECENTLY... /PHENOTHIAZINES/

来源:Hazardous Substances Data Bank (HSDB)

制备方法与用途

Thiopropazate 是一种典型的抗精神病药物，属于吩噻嗪类。它实际上是 Perphenazine 的前药，而 Perphenazine 也是一种典型的抗精神病药。

反应信息

• 作为产物：
  描述：

  2-氯吩噻嗪 生成 醋酸奋乃静
  参考文献：
  名称：

  ANDERSON, Arzneimittel-Forschung/Drug Research, 1962, vol. 12, p. 937 - 942

  摘要：

  DOI：

文献信息

• DIBENZO[b,e][1,4]DIAZEPINE MODULATORS OF DOPAMINE RECEPTORS, SEROTONIN RECEPTORS, ADRENERGIC RECEPTORS, ACETYLCHOLINE RECEPTORS, AND/OR HISTAMINE RECEPTORS
  申请人：Gant Thomas G.

  公开号：US20100166887A1

  公开（公告）日：2010-07-01

  The present invention relates to new dibenzo[b,e][1,4]diazepine modulators of dopamine receptors, serotonin receptors, adrenergic receptors, acetylcholine receptors, and/or histamine receptors, pharmaceutical compositions thereof, and methods of use thereof.

  本发明涉及新的二苯并[b,e][1,4]二氮杂蒽类多巴胺受体、5-羟色胺受体、肾上腺素受体、乙酰胆碱受体和/或组胺受体调节剂，其药物组成物，以及其使用方法。
• [EN] TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS<br/>[FR] TRIAZOLOBENZAZÉPINES UTILISÉES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA VASOPRESSINE V1A
  申请人：RICHTER GEDEON NYRT

  公开号：WO2019116324A1

  公开（公告）日：2019-06-20

  The present invention relates to 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine derivatives of general formula (I) and/or salts thereof and/or geometric isomers thereof and/or stereoisomers thereof and/or enantiomers thereof and/or racemates thereof and/or diastereomers thereof and/or biologically active metabolites thereof and/or prodrugs thereof and/or solvates thereof and/or hydrates thereof and/or polymorphs thereof which are centrally and/or peripherally acting V1a receptor modulators, particularly V1a receptor antagonists. Additional subject of the present invention is the process for the preparation of the compounds and the intermediates of the preparation process as well. The invention also relates to the pharmaceutical compositions containing the compounds or together with one or more other active substances, as well as to the use in the treatment and/or prophylaxis of a disease or condition associated with V1a receptor function.

  本发明涉及一般式(I)的5,6-二氢-4H-[1,2,4]三唑并[4,3-a][1]苯并蒽啉衍生物和/或其盐和/或其几何异构体和/或其立体异构体和/或其对映异构体和/或其消旋体和/或其非对映异构体和/或其生物活性代谢物和/或其前药和/或其溶剂化合物和/或其水合物和/或其多晶形式，这些化合物是中枢和/或外周作用的V1a受体调节剂，特别是V1a受体拮抗剂。本发明的另一个主题是制备这些化合物的过程以及制备过程的中间体。该发明还涉及含有这些化合物或与一个或多个其他活性物质一起的药物组合物，以及在治疗和/或预防与V1a受体功能相关的疾病或症状中的用途。
• Depot Formulations
  申请人：Wright Jeremy C.

  公开号：US20080287464A1

  公开（公告）日：2008-11-20

  Disclosed are formulations and related methods that comprise a non-polymeric, non-water soluble high viscosity liquid carrier material having a viscosity of at least 5,000 cP at 37° C. that does not crystallize neat under ambient or physiological conditions; a specified linear polymer comprising lactide repeat units; and one or more solvents that have a solvent capacity.

  揭示了包含非聚合物、非水溶性高粘度液体载体材料的配方和相关方法，该液体载体材料在37°C时的粘度至少为5,000 cP，在常温或生理条件下不会结晶；一种包含乳酸重复单元的特定线性聚合物；以及一个或多个具有溶剂容量的溶剂。
• IMIDAZOLYL MODULATORS OF 5-HT3 RECEPTORS
  申请人：Gant Thomas G.

  公开号：US20100119623A1

  公开（公告）日：2010-05-13

  The present invention relates to new imidazolyl modulators of 5-HT3 receptors, pharmaceutical compositions thereof, and methods of use thereof.

  本发明涉及新的咪唑基5-HT3受体调节剂，其药物组成物以及使用方法。
• [EN] TRICYCLIC COMPOUNDS AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS TRICYCLIQUES UTILISÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA VASOPRESSINE V1A
  申请人：RICHTER GEDEON NYRT

  公开号：WO2019116325A1

  公开（公告）日：2019-06-20

  The present invention relates to 5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine derivatives of general formula (I) and/or salts thereof and/or geometric isomers thereof and/or stereoisomers thereof and/or enantiomers thereof and/or racemates thereof and/or diastereomers thereof and/or biologically active metabolites thereof and/or prodrugs thereof and/or solvates thereof and/or hydrates thereof and/or polymorphs thereof which are centrally and/or peripherally acting V1a receptor modulators, particularly V1a receptor antagonists. Additional subject of the present invention is the process for the preparation of the compounds and the intermediates of the preparation process as well. The invention also relates to the pharmaceutical compositions containing the compounds or together with one or more other active substances, as well as to the use in the treatment and/or prophylaxis of a disease or condition associated with V1a receptor function.

  本发明涉及通式（I）的5,6-二氢-4H-[1,2,4]三唑[4,3-a][1]苯并蒽啉衍生物和/或其盐和/或其几何异构体和/或其立体异构体和/或其对映异构体和/或其消旋体和/或其二对映异构体和/或其生物活性代谢物和/或其前药和/或其溶剂化合物和/或其水合物和/或其多晶型，这些化合物是中枢和/或外周作用V1a受体调节剂，特别是V1a受体拮抗剂。本发明的另一个主题是化合物的制备方法以及制备过程的中间体。该发明还涉及含有这些化合物或与一个或多个其他活性物质一起的药物组合物，以及在治疗和/或预防与V1a受体功能相关的疾病或症状中的使用。

表征谱图