6-氨基甲基-(9ci)-3-吡啶羧酸 | 76196-67-3

• 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
• 中文名称: 6-氨基甲基-(9ci)-3-吡啶羧酸
• 中文别名: (R)-2-氨基-2-甲基-丁二酸甲基酯盐酸盐
• 英文名称: 6-(aminomethyl)nicotinic acid
• 英文别名: 6-(aminomethyl)pyridine-3-carboxylic acid
• CAS: 76196-67-3
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: KKVJAULLCCGPBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  6-氨基甲基-(9ci)-3-吡啶羧酸 在 碳酸氢钠 作用下， 以 1,4-二氧六环 为溶剂， 反应 22.0h， 生成 Inhibitor 49
  参考文献：
  名称：

  Identification of Potent and Selective Small-Molecule Inhibitors of Caspase-3 through the Use of Extended Tethering and Structure-Based Drug Design

  摘要：

  The design, synthesis, and in vitro activities of a series of potent and selective small-molecule inhibitors of caspase-3 are described. From extended tethering, a salicylic acid fragment was identified as having binding affinity for the S-4 pocket of caspase-3. X-ray crystallography and molecular modeling of the initial tethering hit resulted in the synthesis of 4, which reversibly inhibited caspase-3 with a K-i = 40 nM. Further optimization led to the identification of a series of potent and selective inhibitors with K-i values in the 20-50 nM range. One of the most potent compounds in this series, 66b, inhibited caspase-3 with a K-i = 20 nM and selectivity of 8-500-fold for caspase-3 vs a panel of seven caspases (1, 2, and 4-8). A high-resolution X-ray cocrystal structure of 4 and 66b supports the predicted binding modes of our compounds with caspase-3.

  DOI：

  10.1021/jm020230j
• 作为产物：
  描述：

  乙基6-氰基烟酸酯 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 氢气 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 6-氨基甲基-(9ci)-3-吡啶羧酸
  参考文献：
  名称：

  Isoda, Sumiro; Yamaguchi, Hitoshi; Satoh, Yoshinari, Chemical and pharmaceutical bulletin, 1980, vol. 28, # 5, p. 1408 - 1414

  摘要：

  DOI：

文献信息

• [EN] TARGETING COMPOUNDS<br/>[FR] COMPOSÉS DE CIBLAGE
  申请人：ZAFGEN INC

  公开号：WO2019118612A1

  公开（公告）日：2019-06-20

  The disclosure provides, at least in part, liver, intestine and/or kidney-targeting compounds and their use in treating liver, intestine and/or kidney disorders, such as non-alcoholic steatohepatitis, alcoholic steatohepatitis, hepatocellular carcinoma, liver cirrhosis, and hepatitis B; and/or chronic kidney disease, glomerular disease such as IGA nephropathy, lupus nephritis, or polycystic kidney disease. The compounds are contemplated to have activity against methionyl aminopeptidase 2.

  该披露提供了至少部分针对肝脏、肠道和/或肾脏的化合物，以及它们在治疗肝脏、肠道和/或肾脏疾病中的用途，如非酒精性脂肪肝、酒精性脂肪肝、肝细胞癌、肝硬化和乙型肝炎；和/或慢性肾脏疾病、肾小球疾病，如IgA肾病、狼疮性肾炎或多囊肾病。这些化合物被认为对甲硫氨酰氨肽酶2具有活性。
• [EN] TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER<br/>[FR] PRODUITS RADIOPHARMACEUTIQUES CIBLÉS POUR LE DIAGNOSTIC ET LE TRAITEMENT DU CANCER DE LA PROSTATE
  申请人：BAYER AS

  公开号：WO2021013978A1

  公开（公告）日：2021-01-28

  A compound of general formula (I): wherein: n is 1, 2 or 3; R1, R2, R3 and R4, independently represent OH or Q; and 20 Q represents a tissue-targeting moeity selected from the group consisting of or a stereoisomer, a hydrate, a solvate, or a salt thereof, or a mixture of same, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said 25 compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of soft tissue diseases, as a sole agent or in combination with other active ingredients.

  通用式(I)的化合物：其中：n为1、2或3；R1、R2、R3和R4独立地代表OH或Q；Q代表从群组中选择的组织靶向基团，或其立体异构体、水合物、溶剂合物、盐或其混合物，制备所述化合物的方法，用于制备所述化合物的中间化合物，包含所述化合物的药物组合物和组合物，以及用于制造用于治疗或预防疾病的药物组合物的所述化合物的用途，特别是软组织疾病的治疗或预防，作为唯一药剂或与其他活性成分结合使用。
• 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：US20160130232A1

  公开（公告）日：2016-05-12

  There are provided 4-alkynylimidazole derivatives represented by the following general formula (I) or phamaceutically acceptable salts thereof; the derivatives have a superior EP4 receptor antagonistic action and are useful as pharmaceuticals for the treatment of diseases associated with the EP4 receptor, for example, as anti-inflammatory and/or analgesic drugs for inflammatory diseases and diseases that involve various kinds of pains, and further as pharmaceuticals for the treatment of immune diseases that result from inflammations as evoked by tissue destruction due to the activation of Th1 cells and/or Th17 cells:

  提供了以下一般式(I)所代表的4-炔基咪唑衍生物或其药用盐；这些衍生物具有优越的EP4受体拮抗作用，可用作治疗与EP4受体相关的疾病的药物，例如，作为抗炎和/或镇痛药物，用于治疗炎症性疾病和涉及各种疼痛的疾病，进一步作为治疗由于Th1细胞和/或Th17细胞激活引起的组织破坏所致的炎症导致的免疫性疾病的药物：
• 4-알키닐이미다졸 유도체 및 그것을 유효 성분으로서 함유하는 의약
  申请人：KAKEN PHARMACEUTICAL CO., LTD. 가껭세이야꾸가부시기가이샤(519952409889)

  公开号：KR20160018745A

  公开（公告）日：2016-02-17

  우수한 EP4 수용체 길항 작용을 갖고, EP4 수용체가 관련된 질환의 처치용 의약, 예를 들어 염증성 질환이나 여러 가지 동통을 수반하는 질환의 소염 및/또는 진통약, 또한 Th1 세포 및/또는 Th17 세포가 활성화되어, 조직 파괴가 발생하여 염증이 야기됨으로써 생기는 면역성 질환의 처치용 의약으로서 유용한 하기 일반식 (I) 로 나타내는 4-알키닐이미다졸 유도체 혹은 그 약리학적으로 허용되는 염을 제공한다. [화학식 1]

  具有优异的EP4受体拮抗作用，EP4受体相关的治疗疾病的药物，例如用于治疗炎症性疾病或伴有多种疼痛的疾病的抗炎和/或镇痛药物，同时也激活Th1细胞和/或Th17细胞，导致组织破坏引起炎症导致的免疫性疾病的治疗药物，提供4-烷基咪唑衍生物或其药理学上可接受的盐，如下所示的通用式(I)。【化学式1】
• Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof
  申请人：Bourrier Emmanuel

  公开号：US09024022B2

  公开（公告）日：2015-05-05

  The invention relates to compounds of formula (I′): in which A, L2, M and B are as defined in the description. These compounds are substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof.

  该发明涉及公式（I′）的化合物：其中A、L2、M和B如描述中所定义。这些化合物是O6-烷基鸟嘌呤-DNA烷基转移酶及其突变体的底物。