(R)-α-triphenylmethylamino-ε-caprolactam | 179534-94-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (R)-α-triphenylmethylamino-ε-caprolactam
• 英文别名: 3-(tritylamino)-2-azepanone；3-(tritylamino)azepan-2-one
• CAS: 179534-94-2
• 化学式: C₂₅H₂₆N₂O
• 分子量: 370.494
• InChiKey: MHNCEKFSUYYGRA-UHFFFAOYSA-N

物化性质

• 沸点：
  566.0±50.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-α-triphenylmethylamino-ε-caprolactam 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 生成 1-benzyl-N-trityl-3-azepanamine
  参考文献：
  名称：

  EP1403255

  摘要：

  公开号：
• 作为产物：
  描述：

  DL-赖氨酸 在 三甲基氯硅烷 、 三乙胺 、 六甲基二硅氮烷 作用下， 以 氯仿 、 xylene 为溶剂， 反应 48.0h， 生成 (R)-α-triphenylmethylamino-ε-caprolactam
  参考文献：
  名称：

  EP1403255

  摘要：

  公开号：

文献信息

• A novel series of N-(hexahydr-1,4-diazepin-6-yl) and N-(hexahydroazepin-3-yl)benzamides with high affinity for 5-HT3 and dopamine D2 receptors
  作者：Yoshimi Hirokawa、Toshiya Morie、Hiroshi Yamazaki、Naoyuki Yoshida、Shiro Kato

  DOI：10.1016/s0960-894x(98)00078-x

  日期：1998.3

  A novel series of benzamides with a hexahydro-1,4-diazepine or hexahydroazepine ring in the amine moiety were prepared, and their binding affinities for 5-HT3 and dopamine D2 receptors were evaluated. The R isomer of the 1-ethyl-4-methylhexahydro-1,4-diazepinylbenzamide (R)-22 had potent affinity for both receptors. The R-enantiomer of the corresponding 1-ethylhexahydroazepinylbenzamide 28 showed potent

  制备了在胺部分具有六氢-1,4-二氮杂或六氢氮杂pine环的一系列新型苯甲酰胺，并评估了它们对5-HT3和多巴胺D2受体的结合亲和力。1-乙基-4-甲基六氢-1,4-二氮杂吡啶基苯甲酰胺（R）-22的R异构体对两种受体均具有强大的亲和力。相应的1-乙基六氢氮杂吡啶基苯甲酰胺28的R-对映异构体显示出对多巴胺D2受体的有效亲和力，而对5-HT3受体的亲和力降低，而S异构体是有效且选择性的5-HT3受体拮抗剂。
• 6-methoxy-1H-benzotriazole-5-carboxamide derivatives and pharmaceutical
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US05932568A1

  公开（公告）日：1999-08-03

  6-Methoxy-1H-benzotriazole-5-carboxamide derivatives which are represented by the formula (I) below: ##STR1## \x9bin which R.sup.1 stands for ethyl or cyclopropylmethyl group, R.sup.2 stands for hydrogen atom, methyl or ethyl group, n is 1, 2 or 3, and the wavy line () signifies that configuration of the substituents on the carbon atom bound to the N-atom in the amide moiety is racemic (RS) or optically active (R or S)! or their pharmaceutically acceptable acid addition salts; processes for their preparation; pharmaceutical compositions containing a compound of formula (I) or its pharmaceutically acceptable acid addition salt; and novel intermediates. The compounds of the present invention possess concurrently excellent antiemetic activity and gastrointestinal motility enhancing activity. They furthermore exhibit less central nervous system (CNS) depressant activity and, therefore, are used for treatments and prophylaxis of functional disorders of gastrointestinal tract associated with various diseases and therapeutical treatments, as gastrointestinal motility enhancing agent.

  6-甲氧基-1H-苯并三唑-5-甲酰胺衍生物，表示为下面的化学式（I）：##STR1##其中R.sup.1代表乙基或环丙甲基基团，R.sup.2代表氢原子、甲基或乙基基团，n为1、2或3，波浪线（）表示酰胺基团中与N原子结合的碳原子上的取代基的立体构型是消旋的（RS）或光学活性的（R或S）！或其药用可接受的酸盐；它们的制备方法；含有化合物的药物组合物的制备方法（I）或其药用可接受的酸盐；以及新的中间体。本发明的化合物具有优异的抗恶心活性和促进胃肠动力活性。此外，它们还表现出较少的中枢神经系统（CNS）抑制活性，因此用于治疗和预防与各种疾病和治疗方法相关的胃肠道功能紊乱，作为促进胃肠动力的药剂。
• Rho kinase inhibitors
  申请人：——

  公开号：US20040138286A1

  公开（公告）日：2004-07-15

  A compound represented by the formula (1): 1 wherein R 1 —X— indicates that 1 to 4 R 1 —X— groups are present which may be the same or different, the ring A is a saturated or unsaturated 5-membered heterocyclic ring, X is a single bond, a group represented by the formula: —N(R 3 )—, —O— or —S—, or the like. R 1 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, R 2 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, and R 3 is a hydrogen atom, a substituted or unsubstituted alkyl group, or the like; a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is a useful compound as a therapeutic agent for diseases for which Rho kinase is responsible.

  化合物的化学式为（1）：1，其中R1—X—表示存在1到4个R1—X—基团，可以相同也可以不同，环A是饱和或不饱和的5元杂环，X是单键，一个由式子表示的基团：—N（R3）—，—O—或—S—等。R1是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R2是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R3是氢原子，取代或未取代的烷基或类似物；该化合物的前药或药物可接受的盐是治疗Rho激酶相关疾病的有用化合物。
• 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME
  申请人：DAINIPPON PHARMACEUTICAL CO., LTD.

  公开号：EP0794184A1

  公开（公告）日：1997-09-10

  6-Methoxy-1H-benzotriazole-5-carboxamide derivatives which are represented by the formula (I) below: [in which R1 stands for ethyl or cyclopropylmethyl group, R2 stands for hydrogen atom, methyl or ethyl group, n is 1, 2 or 3, and the wavy line () signifies that configuration of the substituents on the carbon atom bound to the N-atom in the amide moiety is racemic (RS) or optically active (R or S)] or their pharmaceutically acceptable acid addition salts; processes for their preparation; pharmaceutical compositions containing a compound of formula (I) or its pharmaceutically acceptable acid addition salt; and novel intermediates. The compounds of the present invention possess concurrently excellent antiemetic activity and gastrointestinal motility enhancing activity. They furthermore exhibit less central nervous system (CNS) depressant activity and, therefore, are used for treatments and prophylaxis of functional disorders of gastrointestinal tract associated with various diseases and therapeutical treatments, as gastrointestinal motility enhancing agent.

  6-甲氧基-1H-苯并三唑-5-甲酰胺衍生物，由下式（I）表示： [其中 R1 代表乙基或环丙基甲基、 R2 代表氢原子、甲基或乙基、 n 为 1、2 或 3，以及 波浪线（）表示与酰胺分子中 N 原子结合的碳原子上的取代基的构型为外消旋（RS）或光学活性（R 或 S）]。 或其药学上可接受的酸加成盐；其制备工艺；含有式（I）化合物或其药学上可接受的酸加成盐的药物组合物；以及新型中间体。 本发明的化合物同时具有优异的止吐活性和胃肠道蠕动增强活性。此外，它们还表现出较低的中枢神经系统（CNS）抑制活性，因此可作为胃肠道蠕动增强剂，用于治疗和预防与各种疾病和治疗相关的胃肠道功能紊乱。
• Rho KINASE INHIBITORS
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1403255A1

  公开（公告）日：2004-03-31

  A compound represented by the formula (1): wherein R1-X- indicates that 1 to 4 R1-X- groups are present which may be the same or different,    the ring A is a saturated or unsaturated 5-membered heterocyclic ring,    X is a single bond, a group represented by the formula: -N(R3)-, -O- or -S-, or the like.    R1 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like,    R2 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, and    R3 is a hydrogen atom, a substituted or unsubstituted alkyl group, or the like; a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is a useful compound as a therapeutic agent for diseases for which Rho kinase is responsible.

  由式（1）代表的化合物： 其中 R1-X- 表示存在 1 至 4 个 R1-X- 基团，这些基团可以相同或不同、 环 A 是饱和或不饱和的五元杂环、 X 是单键、由式子表示的基团：-N(R3)-、-O- 或 -S- 或类似的基团。 R1 是氢原子、卤素原子、硝基、羧基、取代或未取代的烷基或类似基团、 R2 是氢原子、卤素原子、硝基、羧基、取代或未取代的烷基或类似物，以及 R3 是氢原子、取代或未取代的烷基或类似物； 所述化合物的原药或所述化合物或原药的药学上可接受的盐是一种有用的化合物，可作为治疗 Rho 激酶引起的疾病的药物。