盐酸苯丁胺 | 1197-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 盐酸苯丁胺
• 中文别名: (1,1-二甲基-2-苯基)乙基胺盐酸盐
• 英文名称: phentermine hydrochloride
• 英文别名: 1,1-dimethyl-2-phenyl-ethylamine hydrochloride；α,α-dimethylphenethylamine hydrochloride；hydron;2-methyl-1-phenylpropan-2-amine;chloride
• CAS: 1197-21-3
• 化学式: C₁₀H₁₆N*Cl
• 分子量: 185.697
• InChiKey: NCAIGTHBQTXTLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

ADMET

毒理性

• 在妊娠和哺乳期间的影响

母乳喂养期间的使用总结：目前没有关于母乳喂养期间使用芬特明（phentermine）的信息。不建议在母乳喂养期间使用芬特明及其与托吡酯（topiramate）的联合用药。 ◉ 对哺乳婴儿的影响：截至修订日期，没有找到相关的已发布信息。 ◉ 对泌乳和母乳的影响：截至修订日期，没有找到相关的已发布信息。

◉ Summary of Use during Lactation:No information is available on the use of phentermine during breastfeeding. Phentermine and its combination with topiramate are not recommended during breastfeeding. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.

来源:Drugs and Lactation Database (LactMed)

反应信息

• 作为反应物：
  描述：

  盐酸苯丁胺 在 palladium on activated charcoal sodium hydroxide 、 硫酸 、 氢气 、 硝酸 、 镍 、 sodium iodide 、 肼 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 正丁醇 为溶剂， 40.0 ℃ 、344.73 kPa 条件下， 反应 30.66h， 生成 5-<2-<<1-(4-iodophenyl)-2-methylprop-2-yl>amino>-1-hydroxyethyl>-8-hydroxycarbostyril
  参考文献：
  名称：

  Carbostyril derivatives having potent .beta.-adrenergic agonist properties

  摘要：

  Derivatives carrying a substituent in the para position of the phenyl group of 8-hydroxy-5-[2-[(1-phenyl-2-methylprop-2-yl)amino]-1-hydroxyethyl] carbostyril (10) were prepared and their effects on beta-adrenoceptors evaluated in vitro. Unsubstituted compound 10, iodo 11, amino 12, and bromoacetamido 13 derivatives (all racemic) bound to the receptor with 15-100-fold lower dissociation constants than that of (-)-isoproterenol. All the above compounds stimulated adenylate cyclase more potently than (-)-isoproterenol. The intrinsic activities of compounds 10 and 12 were equal to that of (-)-isoproterenol. The intrinsic activities of compounds 11 and 13 were 1.3 and 1.2 times that of (-)-isoproterenol, respectively. Treatment of membrane preparations with bromoacetamido derivative 13 resulted in an irreversible loss of binding sites, and thus, 13 seems to be an alkylating affinity label for beta-adrenoceptors.

  DOI：

  10.1021/jm00392a006
• 作为产物：
  描述：

  N-(benzhydrylideneamino)-2-methyl-1-phenylpropan-2-amine 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 50.0 ℃ 、101.32 kPa 条件下， 生成 盐酸苯丁胺
  参考文献：
  名称：

  合成中的偶氮阴离子：叔丁基二苯基甲基hydr的α-氨基碳负当量

  摘要：

  从叔丁基二苯基甲基hydr的C-烷基化产物可容易地获得α-氨基碳负当量（NH 2）和α-肼基阴离子当量（NHNH 2）。这些偶氮烷可以在温和的反应条件下有效地转化为胺，肼和烷烃。

  DOI：

  10.1039/c39860000176

文献信息

• Compounds and compositions for use in the prevention and treatment of obesity and related syndromes
  申请人：Chapal Nicolas

  公开号：US20060223884A1

  公开（公告）日：2006-10-05

  The invention relates to 4-hydroxyisoleucine, isomers, analogs, lactones, salts, and prodrugs thereof, to processes for their preparation, and to pharmaceutical compositions comprising the same. More particularly, the invention relates to the use of those compounds in the prevention and treatment of obesity and related syndromes.

  本发明涉及4-羟基异亮氨酸、其同分异构体、类似物、内酯、盐和前药，以及它们的制备过程，以及包含它们的药物组合物。更具体地说，本发明涉及这些化合物在预防和治疗肥胖及相关综合症中的用途。
• Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors
  申请人：G.D. Searle & Co.

  公开号：US06337398B1

  公开（公告）日：2002-01-08

  Succinoylamino hydroxyethylamino sulfonyl urea derivatives of the formula: wherein the substituents are as defined in the specification, are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease.

  丁酰氨基羟基乙氨基磺酰脲衍生物的公式如下： 其中，取代基的定义如说明书所述，这些衍生物作为逆转录病毒蛋白酶抑制剂是有效的，尤其是作为HIV蛋白酶的抑制剂。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010120854A1

  公开（公告）日：2010-10-21

  The invention is directed to to substituted indazole derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R1 - R6 and X are defined herein. The compounds of the invention are inhibitors of PDK1 and can be useful in the treatment of disorders characterized by constitutively activated ACG kinases such as cancer and more specifically leukemia and cancers of the breast, colon, and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting PDK1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代吲唑衍生物。具体而言，本发明涉及根据公式I的化合物：其中R1-R6和X在此定义。本发明的化合物是PDK1的抑制剂，可用于治疗由组成性激活的ACG激酶（如癌症，特别是白血病、乳腺癌、结肠癌和肺癌）引起的疾病。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制PDK1活性和治疗相关疾病的方法。
• DEUTERO-PHENFORMIN DERIVATIVES
  申请人：Enlibrium Inc

  公开号：US20170210704A1

  公开（公告）日：2017-07-27

  The present disclosure is directed to novel phenformin derivatives, and their pharmaceutically acceptable salts, solvates, or stereoisomers thereof. This disclosure also provides compositions and the use of such compositions in method of treating cancer, diabetes, or polycystic ovarian syndrome.

  本公开涉及新的苯乙双胍衍生物，以及它们的药用可接受的盐、溶剂化物或立体异构体。本公开还提供了此类化合物的组合物及其在治疗癌症、糖尿病或多囊卵巢综合征的方法中的用途。
• [EN] NOVEL LIPOGENIC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS LIPOGÈNES INÉDITS ET LEURS UTILISATIONS
  申请人：EINSTEIN COLL MED

  公开号：WO2012112670A1

  公开（公告）日：2012-08-23

  The present invention provides resveratrol-based boron-containing analog! methods of use thereof in treatment of dyslipidemias and cancer.

  这项发明提供了基于白藜芦醇的含硼类似物！以及在治疗血脂异常和癌症中的使用方法。