1-(5-chloroindol-2-ylsulfonyl)4-[4-(pyridin-4-yl)benzoyl]piperazine | 249292-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(5-chloroindol-2-ylsulfonyl)4-[4-(pyridin-4-yl)benzoyl]piperazine
• 英文别名: 1-(5-chloroindol-2-ylsulfonyl)-4-[4-(4-pyridyl)benzoyl] piperazin；1-[(5-Chloroindol-2-yl)sulfonyl]-4-[4-(pyridin-4-yl)benzoyl]piperazine；1-(5-chloroindol-2-ylsulphonyl)-4-[4-(4-pyridyl)benzoyl]piperazine；1-(5-chloroindol-2-ylsulfonyl)-4-[4-(4-pyridyl)benzoyl]piperazine；1-(5-chloroindol-2-ylsulfonyl)4-[4-(4-pyridyl)benzoyl]piperazine；[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
• CAS: 249292-02-2
• 化学式: C₂₄H₂₁ClN₄O₃S
• 分子量: 480.975
• InChiKey: QUWXNGCXFLZUFK-UHFFFAOYSA-N

物化性质

• 沸点：
  742.9±70.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  94.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(5-chloroindol-2-ylsulfonyl)4-[4-(pyridin-4-yl)benzoyl]piperazine 在 m-chloroperoxybenzoic acid 作用下， 以 二氯甲烷 为溶剂， 生成 4-[4-[[4-[(5-Chloroindol-2-yl)sulfonyl]piperazin-1-yl]carbonyl]phenyl]pyridine N-oxide
  参考文献：
  名称：

  Combination product comprising melagatran and a factor xa inhibitor

  摘要：

  提供一种组合产品，包括：（A）美拉曲班或其药学上可接受的衍生物；和（B）因子Xa抑制剂或其药学上可接受的衍生物，其中每个组分（A）和（B）与药学上可接受的辅料，稀释剂或载体混合制剂，以及该组合产品在治疗需要抗凝治疗的疾病时的使用。

  公开号：

  US20030158120A1
• 作为产物：
  描述：

  1-(苯磺酰基)-5-氯吲哚 在 盐酸 、 氢氧化钾 、 叔丁基锂 、 三乙胺 作用下， 以 甲醇 、 乙醚 、 乙醇 、 二氯甲烷 、 正戊烷 为溶剂， 反应 59.05h， 生成 1-(5-chloroindol-2-ylsulfonyl)4-[4-(pyridin-4-yl)benzoyl]piperazine
  参考文献：
  名称：

  Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites

  摘要：

  Compound 7 was identified as the active metabolite of 6 by HPLC and mass spectral analysis. Modification of lead compound 7 by transformation of its N-oxide 6-6 biaryl ring system and fused aromatics produced a series of non-basic fxa inhibitors with excellent potency in anti-fXa and anticoagulant assays. The optimized compounds 73b and 75b showed sub to one digit micromolar anticoagulant activity (PTCT2). Particularly, anti-fXa activity was detected in plasma of rats orally administered with 1 mg/kg of compound 75b. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.006

文献信息

• NOVEL SULFONYL DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1104754A1

  公开（公告）日：2001-06-06

  Sulfonyl derivatives represented by the following general formula (I): Q1-Q2-T1-Q3-SO2-QA and drugs containing the same (wherein Q1 is an optionally substituted, saturated or unsaturated, five- or six-membered cyclic hydrocarbon group, a five- or six-membered heterocyclic group, or the like; Q2 is a single band, oxygen, sulfur, C1-C6 alkylene or the like; QA is optionally substituted arylalkenyl, heteroarylalkenyl or the like; and T1 is carbonyl or the like). These compounds have potent FXa-inhibitory effects and promptly exert satisfactory and persistent antithrombotic effects through oral administration, thus being useful as anticoagulant agents little accompanied with side effects.

  以下是通用公式（I）所代表的磺酰衍生物：Q1-Q2-T1-Q3-SO2-QA以及含有这些衍生物的药物（其中Q1是可选择地取代的饱和或不饱和的五元或六元环烃基团，五元或六元杂环基团等；Q2是单键，氧，硫，C1-C6烷基或类似物；QA是可选择地取代的芳基烯烃基团，杂环芳基烯烃基团或类似物；T1是羰基或类似物）。这些化合物具有强大的FXa抑制作用，并通过口服迅速产生令人满意且持久的抗血栓作用，因此可作为几乎不伴随副作用的抗凝血剂。
• Heterocyclic derivatives which inhibit factor Xa
  申请人：AstraZeneca AB

  公开号：US06753331B1

  公开（公告）日：2004-06-22

  The invention relates to heterocyclic derivatives of formula (I), or pharmaceutically-acceptable salts thereof, which possess antithrombotic and anticoagulant properties and are accordingly useful in methods of treatment of humans or animals. The invention also relates to processes for the preparation of the heterocyclic derivatives, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an antithrombotic or anticoagulant effect.

  本发明涉及式(I)的杂环衍生物或其药学上可接受的盐，其具有抗血栓和抗凝血性质，因此在人类或动物的治疗方法中有用。本发明还涉及制备这些杂环衍生物的过程，含有它们的制药组合物以及它们在制造用于产生抗血栓或抗凝血效应的药物中的使用。
• Novel sulfonyl derivatives
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：US20040082611A1

  公开（公告）日：2004-04-29

  Described in the present invention are a sulfonyl derivative represented by the following formula (I): Q 1 -Q 2 -T 1 -Q 3 -SO 2 -Q A (I) [wherein Q 1 represents a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group, 5- or 6-membered heterocyclic group, dicyclic fused ring or tricyclic fused ring group which may have a substituent; Q 2 represents a single bond, an oxygen atom, a sulfur atom, a linear or branched C 1-6 alkylene group or the like; Q A represents an arylalkenyl group which may have a substituent or a heteroarylalkenyl group which may have a substituent; and T 1 represents a carbonyl group or the like] and a medicament comprising the same. The compound has strong FXa inhibitory action, provides prompt, sufficient and long-lasting anti-thrombus effects when orally administered, and has low side effects and is therefore useful as an excellent anticoagulant.

  本发明描述了一种由以下式(I)表示的磺酰基衍生物： Q1-Q2-T1-Q3-SO2-QA(I) [其中，Q1表示饱和或不饱和的5-或6-环烃基、5-或6-杂环基、二环融合环或三环融合环基，可能具有取代基；Q2表示单键、氧原子、硫原子、线性或支链的C1-6烷基等；QA表示可能具有取代基的芳基烯基或杂芳基烯基；T1表示羰基基团或类似物]，以及包含该化合物的药物。该化合物具有强烈的FXa抑制作用，口服后提供快速、充分和持久的抗血栓效果，并且具有低副作用，因此可用作优秀的抗凝剂。
• Oral pharmaceutical composition containing a block copolymer
  申请人：——

  公开号：US20040076673A1

  公开（公告）日：2004-04-22

  The invention relates to oral pharmaceutical compositions that comprise a water miscible micelle forming block copolymer and a compound. The copolymer can be a diblock copolymer of formula AB or BA. The copolymer could also be triblock copolymer of formula ABA or BAB, or a multiblock copolymer having repeating BA or AB units of formula A(BA)n or B(AB)n, where n is an integer. The A-block may be poly(L-lactide) or poly(D-, L-, or DL-lactic acid) and the B-block a polyethylene glycol.

  本发明涉及口服药物组合物，该组合物由水可混溶的胶束形成嵌段共聚物和一种化合物组成。共聚物可以是式 AB 或 BA 的二嵌段共聚物。共聚物也可以是式 ABA 或 BAB 的三嵌段共聚物，或具有式 A(BA)n 或 B(AB)n 的重复 BA 或 AB 单元（其中 n 为整数）的多嵌段共聚物。A 嵌段可以是聚（L-乳酸）或聚（D-、L-或 DL-乳酸），B 嵌段可以是聚乙二醇。
• Pharmaceutical composition which comprise a solid dispersion of a hydroxypropyl-methylcellulose phthalate polymer
  申请人：——

  公开号：US20040138231A1

  公开（公告）日：2004-07-15

  The invention relates to pharmaceutical compositions, in particular oral pharmaceutical compositions which comprise a solid dispersion of a hydroxypropylmethylcellulose phthalate polymer, preferably HP-55 or HP-55S, and a drug which has pH sensitive solubility.

  本发明涉及药物组合物，特别是口服药物组合物，其中包括羟丙基甲基纤维素邻苯二甲酸酯聚合物（最好是 HP-55 或 HP-55S）和对 pH 值敏感的药物的固体分散体。