2-chloro-4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxylpiperidine-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl]benzonitrile | 1359969-24-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-chloro-4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxylpiperidine-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl]benzonitrile
• 英文别名: 2-chloro-4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidin-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl]benzonitrile；Ocedurenone；4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidine-1-carbonyl)-3,3a,4,5-tetrahydropyrazolo[3,4-f]quinolin-2-yl]-2-chlorobenzonitrile
• CAS: 1359969-24-6
• 化学式: C₂₈H₃₀ClN₅O₂
• 分子量: 504.031
• InChiKey: UXHQLGLGLZKHTC-CUNXSJBXSA-N

物化性质

• 沸点：
  748.4±70.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloro-4-(3-cyclopentyl-7-(4-hydroxylpiperidine-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl)benzonitrile 在 ChiralPak AD-H 作用下， 以 甲醇 为溶剂， 生成 2-chloro-4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxylpiperidine-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl]benzonitrile
  参考文献：
  名称：

  Fused Ring Compound For Use As Mineralocorticoid Receptor Antagonist

  摘要：

  本发明属于医学技术领域，具体涉及以下内容：一种由化学式（I）表示的融合环化合物，用作醛固酮受体拮抗剂，其药学上可接受的盐和异构体；这些化合物的制备方法；含有这些化合物的药物制剂；以及这些化合物、其药学上可接受的盐或其异构体在制备用于治疗和/或预防肾损伤、高血压等心血管疾病和/或内分泌疾病的药物时的应用。X、Y1、Y2、Y3、R1、R2a、R2b、R3a、R3b、R4、Cy和n的定义如描述中所示。

  公开号：

  US20130289029A1

文献信息

• METHOD FOR PREPARING TRICYCLIC COMPOUND, AND INTERMEDIATE THEREOF
  申请人：KBP BIOSCIENCES CO., LTD.

  公开号：US20220144824A1

  公开（公告）日：2022-05-12

  The present application discloses a process for preparing a fused tricyclic compound and an intermediate thereof, specifically relates to a process for preparing a (3S,3aR)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinoline compound, intermediates in said process, and methods for preparing said intermediates.

  本申请披露了一种制备融合三环化合物及其中间体的过程，具体涉及制备(3S, 3aR)-3-环戊基-3,3a,4,5-四氢-2H-吡唑并[3,4-f]喹啉化合物的过程，该过程中的中间体以及制备该中间体的方法。
• CRYSTAL FORM OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR
  申请人：KBP BIOSCIENCES CO., LTD.

  公开号：US20150336950A1

  公开（公告）日：2015-11-26

  The present invention belongs to the technical field of medicines, and relates to a crystal form of a compound used as a mineralocorticoid receptor antagonist and a preparation method therefor, and in particular, to a method for preparing a compound 2-chloro-4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidin-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl]benzonitrile of formula (1); a crystal form thereof, a preparation method for the crystal form, and the use of the crystal form in the preparation of drugs for the treatment and/or prevention of renal injury or cardiovascular diseases.

  本发明属于医药技术领域，涉及一种用作矿物质皮质激素受体拮抗剂的化合物的晶体形式及其制备方法，特别是一种化合物2-氯-4-[(3S,3aR)-3-环戊基-7-(4-羟基哌啶-1-羧酰基)-3,3a,4,5-四氢-2H-吡唑并[3,4-f]喹啉-2-基]苯甲腈的制备方法；其晶体形式，晶体形式的制备方法，以及晶体形式在制备用于治疗和/或预防肾损伤或心血管疾病的药物中的应用。
• PHARMACEUTICAL COMPOSITION COMPRISING MINERALOCORTICOID RECEPTOR ANTAGONIST AND USE THEREOF
  申请人：KBP Biosciences Co., Ltd.

  公开号：EP3517113A1

  公开（公告）日：2019-07-31

  Provided are a pharmaceutical composition comprising a mineralocorticoid receptor antagonist and use thereof. When the pharmaceutical composition is orally administered to a patient having chronic kidney disease in need thereof, the effective and safe AUC ranges from 188 ng∗h/mL to 3173 ng∗h/mL, with bioavailability of 50% or more in mammals. When the pharmaceutical composition is orally administered at a daily dose of 0.1 to 1.0 mg to treat chronic kidney disease, the AUC is controlled at a safe and effective level.

  本文提供了一种包含矿质皮质激素受体拮抗剂的药物组合物及其用途。当向有需要的慢性肾病患者口服该药物组合物时，其有效和安全的AUC范围为188 ng∗h/mL至3173 ng∗h/mL，在哺乳动物体内的生物利用度为50%或以上。当以每日 0.1 至 1.0 毫克的剂量口服该药物组合物治疗慢性肾病时，AUC 可控制在安全有效的水平。
• THE USE OF NON-STEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ALONE OR IN COMBINATION FOR THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES
  申请人：Bayer Aktiengesellschaft

  公开号：EP3566704A1

  公开（公告）日：2019-11-13

  The present disclosure relates to non-steriodal mineralocorticoid receptor (MR) and the pharmacology of mineralocorticoid receptor antagonists (MR Antagonists, MRAs). In particular, the invention relates to MRAs alone (preferably finerenone), or preferably in combination with sGC stimulators and/or sGC activators (preferably BAY 41-2272), for use in the prevention and/or treatment of muscular or neuromuscular diseases, especially for the treatment of Duchenne Muscular Dystrophy (DMD).

  本公开涉及非甾体类矿物皮质激素受体（MR）和矿物皮质激素受体拮抗剂（MR 拮抗剂，MRAs）的药理学。特别是，本发明涉及单独使用（优选非格列酮）或优选与sGC刺激剂和/或sGC激活剂（优选BAY 41-2272）联合使用的MRAs，用于预防和/或治疗肌肉或神经肌肉疾病，特别是治疗杜氏肌肉萎缩症（DMD）。
• CRYSTAL FORMS OF COMPOUND USED AS MINERALOCORTICOID RECEPTOR ANTAGONIST AND METHODS FOR THEIR PREPARATION
  申请人：KBP BIOSCIENCES PTE. LTD.

  公开号：EP3954688A1

  公开（公告）日：2022-02-16

  The present invention belongs to the technical field of medicines, and relates to a crystal form of a compound used as a mineralocorticoid receptor antagonist and a preparation method therefor, and in particular, to a method for preparing a compound 2-chloro-4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidin-1-carbonyl)-3,3a,4,5-tetrahydro-2H-pyrazolo[3,4-f]quinolin-2-yl]benzonitrile of formula (1); a crystal form thereof, a preparation method for the crystal form, and the use of the crystal form in the preparation of drugs for the treatment and/or prevention of renal injury or cardiovascular diseases.

  本发明属于医药技术领域，涉及一种用作矿物皮质激素受体拮抗剂的化合物的晶型及其制备方法，特别是涉及一种制备式（1）的化合物2-氯-4-[(3S,3aR)-3-环戊基-7-(4-羟基哌啶-1-羰基)-3,3a,4,5-四氢-2H-吡唑并[3,4-f]喹啉-2-基]苯腈的方法；其晶体形式、晶体形式的制备方法，以及晶体形式在制备治疗和/或预防肾损伤或心血管疾病药物中的用途。