泰巴氨酯 | 4268-36-4

• 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
• 中文名称: 泰巴氨酯
• 英文名称: tybamate
• 英文别名: butyl-carbamic acid, 2-{[(aminocarbonyl)oxy]methyl}-2-methylpentyl ester；Tybamate, <2-(Hydroxymethyl)-2-methyl-pentyl>-butylcarbamat-carbamat；Tybamat, N-Butyl-2-methyl-2-propyl-1,3-propandiol-dicarbamat；1-Carbamoyloxy-2-methyl-2-propyl-3-butylcarbamoyloxy-propan；N-Butyl-2-methyl-2-propyl-propandiol-(1,3)-dicarbamat；[2-(carbamoyloxymethyl)-2-methylpentyl] N-butylcarbamate
• CAS: 4268-36-4
• 化学式: C₁₃H₂₆N₂O₄
• 分子量: 274.36
• InChiKey: PRBORDFJHHAISJ-UHFFFAOYSA-N

物化性质

• 熔点：
  49-51°
• 沸点：
  bp0.06 150-152°
• 密度：
  1.0790 (rough estimate)
• 颜色/状态：
  CRYSTALS FROM 1,1,2-TRICHLOROETHANE + HEXANE (1:2)
• 气味：
  MILD CHARACTERISTIC ODOR
• 味道：
  BITTER TASTE
• 溶解度：
  VERY SOL IN ALC & ACETONE; FREELY SOL IN ETHER; VERY SLIGHTLY SOL IN WATER
• 稳定性/保质期：
  STABLE IN LIGHT & HEAT

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  90.6
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

毒理性

• 相互作用

同时摄入美普巴胺和酒精可能会导致它们中枢神经系统抑制剂效果的增强。...泰巴胺/是/...在化学和药理上与美普巴胺相关...

CONCURRENT INGESTION OF MEPROBAMATE & ALCOHOL CAN LEAD TO ENHANCEMENT OF THEIR CNS DEPRESSANT EFFECTS. ...TYBAMATE /IS/...CHEMICALLY & PHARMACOLOGICALLY RELATED TO MEPROBAMATE...

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

大型癫痫或小型癫痫惊厥在少数住院的精神病患者中已有报道，这些患者同时接受了大剂量的泰巴酯和吩噻嗪类药物。

GRAND MAL OR PETIT MAL CONVULSIONS HAVE BEEN REPORTED IN FEW HOSPITALIZED PSYCHOTIC PT WHO RECEIVED LARGE DOSES OF TYBAMATE & PHENOTHIAZINES CONCOMITANTLY.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

急性非血小板减少性紫癜也有报道，并且偶尔发生血管神经性水肿和支气管痉挛。...与再生障碍性贫血、血小板减少、白细胞减少、粒细胞缺乏和红细胞发育不良有关；报道的病例数量非常少。/美普巴amate/

ACUTE NONTHROMBOCYTOPENIC PURPURA HAS ALSO BEEN REPORTED, & ANGIOEDEMA & BRONCHOSPASM HAVE OCCASIONALLY OCCURRED. ...ASSOC WITH DEVELOPMENT OF APLASTIC ANEMIA, THROMBOCYTOPENIA, LEUKOPENIA, AGRANULOCYTOSIS, & ERYTHROID HYPOPLASIA; NUMBER OF REPORTED CASES HAS BEEN VERY SMALL. /MEPROBAMATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

主要副作用...是嗜睡和共济失调，可能会出现低血压。在不同系列的病人中，有0.2-3.4%的人报告了过敏反应，那些有皮肤科或过敏性疾病史的人最常见。荨麻疹或红斑疹是最常见的表现。/美普巴amate/

MAJOR SIDE EFFECTS...ARE SLEEPINESS & ATAXIA, HYPOTENSION MAY OCCUR. ALLERGIC REACTIONS HAVE BEEN REPORTED IN FROM 0.2-3.4% OF DIFFERENT SERIES OF PT & APPEAR MOST FREQUENTLY IN THOSE WITH HISTORY OF DERMATOLOGICAL OR ALLERGIC CONDITIONS. URTICARIA OR ERYTHEMATOUS RASH IS MOST COMMON MANIFESTATION. /MEPROBAMATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

急性间歇性卟啉症的加重...可能会导致...自杀尝试...并不少见。 ...昏迷、低血压、休克、肺水肿和呼吸抑制是大量过量的特征。/美普巴amate/

EXACERBATION OF ACUTE INTERMITTENT PORPHYRIA...MAY BE CAUSED... SUICIDE ATTEMPTS...ARE NOT UNCOMMON. ... COMA, LOW BLOOD PRESSURE, SHOCK, PULMONARY EDEMA, & RESPIRATORY DEPRESSION CHARACTERIZE MASSIVE OVERDOSAGE. /MEPROBAMATE/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

...从胃肠道吸收良好...美普巴胺在体内分布相当均匀，大约10%的药物以未改变的形式在尿液中排出。/美普巴胺/

...WELL ABSORBED FROM GI TRACT... MEPROBAMATE IS QUITE UNIFORMLY DISTRIBUTED IN BODY, & ABOUT 10% OF DRUG IS EXCRETED IN UNCHANGED FORM IN URINE. /MEPROBAMATE/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

(14)C-TYBAMATE...从胃肠道吸收在大鼠口服给药后相当迅速。2小时后，67%的(14)C仍然存在，而4小时后只剩下21%。21%在2小时内的尿液中排出。腹腔注射给药后24小时，大鼠通过尿液排出了87%的(14)C，5%通过粪便...肠道内容物中有3%存在。

ABSORPTION OF [(14)C]-TYBAMATE...FROM GI TRACT WAS FAIRLY RAPID IN RATS RECEIVING ORAL DOSE. 67% OF (14)C REMAINED THERE 2 HR LATER, WHEREAS ONLY 21% REMAINED 4 HR LATER. 21% WAS EXCRETED IN 2-HR URINE. 24 HR AFTER IP DOSE, RATS HAD EXCRETED 87% OF (14)C IN URINE, 5% IN FECES...3% WAS PRESENT IN INTESTINAL CONTENTS.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在怀孕小鼠中，替巴酸酯缓慢穿过胎盘，胎儿中的(14)C水平低于母体。直肠给药后30分钟，肝脏和肠中有大量(14)C存在。由于这是一种脂溶性药物，预计会迅速渗透到大脑和脂肪组织。

IN PREGNANT MICE, TYBAMATE SLOWLY CROSSED PLACENTA, & LEVELS OF (14)C WERE LOWER IN FETUS THAN IN MOTHER. 30 MIN AFTER RECTAL ADMIN...MUCH (14)C WAS PRESENT IN LIVER & INTESTINES. RAPID PENETRATION...INTO BRAIN & ADIPOSE TISSUE WOULD BE EXPECTED FOR THIS LIPID-SOL DRUG.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

全身自动放射性显微镜检查接受静脉注射的小鼠...显示(14)C在50秒内出现在中枢神经系统，并且在脂肪组织、心肌、唾液腺和肾脏中的水平也很高。10分钟后...(14)C在大脑中的含量降低，但在与排出TYBAMATE有关的肝脏、肠道和肾脏中的含量仍然很高。

WHOLE-BODY AUTORADIOGRAPHY OF MICE RECEIVING IV DOSES...SHOWED THAT (14)C WAS PRESENT IN CNS WITHIN 50 SEC, & LEVELS WERE ALSO HIGH IN ADIPOSE TISSUE, MYOCARDIUM, SALIVARY GLANDS, & KIDNEYS. AFTER 10 MIN...(14)C IN BRAIN HAD DECR, BUT WERE HIGH IN LIVER, INTESTINES, & KIDNEYS, ORGANS CONCERNED WITH EXCRETION OF TYBAMATE.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2924199090

反应信息

• 作为产物：
  描述：

  5-甲基-5-丙基-1,3-二恶烷-2-酮 生成 泰巴氨酯
  参考文献：
  名称：

  �ber die Herstellung einiger am Stickstoffatom substituierter 1,3-Propandiol-dicarbamate

  摘要：

  DOI：

  10.1007/bf00900274

文献信息

• [EN] BUPRENORPHINE ANALOGS<br/>[FR] ANALOGUES DE BUPRÉNORPHINE
  申请人：PURDUE PHARMA LP

  公开号：WO2012038813A1

  公开（公告）日：2012-03-29

  The present invention is directed to Buprenorphine Analog compounds of the Formula (I), Formula (IA) or Formula (IB) shown below, wherein R1, R2, R8, R 3a, R 3b, G, X, Z and Y are as defined herein. Compounds of the Invention are useful for treating pain, constipation, and other conditions modulated by activity of opioid and ORL-1 receptors.

  本发明涉及如下所示的公式(I)、公式(IA)或公式(IB)的丁丙诺啡类似物化合物，其中R1、R2、R8、R 3a、R 3b、G、X、Z和Y的定义如本文所述。本发明的化合物可用于治疗疼痛、便秘以及通过阿片类和ORL-1受体的活性调节的其他状况。
• PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20150141434A1

  公开（公告）日：2015-05-21

  The invention provides compounds that are useful as sodium channel blockers. In one aspect, the invention provides compounds of Formula I: or pharmaceutically acceptable salts, solvates, hydrates, or diastereomers thereof, wherein R 1 , R 4 , X, G, n, p, W 1 , W 2 , W 3 , W 4 , and the E ring are defined in the disclosure. In certain embodiments, the invention provides compounds of Formulae II-XIII as set forth supra. The invention also provides the use of compounds of any of the above discussed formulae to treat a disorder responsive to blockade of sodium channels. In one embodiment, Compounds of the Invention are useful for treating pain.

  本发明提供了一种用作钠通道阻断剂的化合物。在一方面，本发明提供了公式I的化合物： 或其药用可接受的盐、溶剂化物、水合物或对映异构体，其中R1、R4、X、G、n、p、W1、W2、W3、W4和E环在公开中定义。在某些实施例中，本发明提供了上述公式II-XIII的化合物。本发明还提供了使用上述任何讨论公式的化合物来治疗对钠通道阻断有反应的疾病。在一个实施例中，发明化合物用于治疗疼痛。
• Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof
  申请人：Mikamiyama Hidenori

  公开号：US20110136833A1

  公开（公告）日：2011-06-09

  The invention relates to tetrahydropyridinyl and dihydropyrrolyl compounds of Formula (I): and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X, Y, Z, R 1 , R 2 , m, and n are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  这项发明涉及式(I)的四氢吡啶基和二氢吡咯基化合物，以及其药学上可接受的盐、前药或溶剂化合物，其中X、Y、Z、R1、R2、m和n的定义如规范中所述。该发明还涉及利用式(I)的化合物治疗对钙通道阻滞有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• [EN] BENZOMORPHAN COMPOUNDS AS OPIOID RECEPTORS MODULATORS<br/>[FR] COMPOSÉS DE TYPE BENZOMORPHANE UTILISÉS EN TANT QUE MODULATEURS DES RÉCEPTEURS AUX OPIACÉS
  申请人：PURDUE PHARMA LP

  公开号：WO2013167963A1

  公开（公告）日：2013-11-14

  The present invention is directed to Benzomorphan Analog compounds of the Formula (I), Formula (IA), Formula (IB), Formula (IC), or Formula (ID) as shown below, wherein R1, R2a, R2b, R3, R4, Z, and G are as defined herein. Compounds of the Invention are useful for treating pain, constipation, and other conditions modulated by activity of opioid and ORL-1 receptors.

  本发明涉及如下所示的公式(I)、公式(IA)、公式(IB)、公式(IC)或公式(ID)的苯佐吗啡类似物化合物，其中R1、R2a、R2b、R3、R4、Z和G如本文所述定义。本发明的化合物可用于治疗疼痛、便秘和其它通过阿片和ORL-1受体的活性调节的状况。
• [EN] SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TYPE PIPÉRIDINE-4-AMINO SUBSTITUÉE ET LEURS UTILISATIONS
  申请人：PURDUE PHARMA LP

  公开号：WO2014102590A1

  公开（公告）日：2014-07-03

  The disclosure relates to Substituted Piperidin-4-amino-Type Compounds of Formula (I) and pharmaceutically acceptable salts and solvates thereof wherein R1, R2, R3, Q1, Q2, E1, E2, A, B, D, W, Z, a, b, n, and x are as defined herein, compositions comprising an effective amount of a Substituted Piperidin-4-amino-Type Compound, and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of a Substituted Piperidin-4-amino-Type Compound.

  本发明涉及式(I)的取代哌啶-4-氨基型化合物及其药物可接受的盐和溶剂化物，其中R1，R2，R3，Q1，Q2，E1，E2，A，B，D，W，Z，a，b，n和x按本文定义，包含有效量的取代哌啶-4-氨基型化合物的组合物，以及治疗或预防诸如疼痛等症状的方法，包括向需要的动物施用有效量的取代哌啶-4-氨基型化合物。

表征谱图