5-(氯甲基)-2-甲氧基吡啶盐酸盐(1:1) | 120276-36-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-(氯甲基)-2-甲氧基吡啶盐酸盐(1:1)
• 中文别名: 5-氯甲基-2-甲氧基吡啶盐酸盐
• 英文名称: 5-(chloromethyl)-2-methoxypyridine hydrochloride
• 英文别名: 5-(chloromethyl)-2-methoxypyridine;hydrochloride
• CAS: 120276-36-0
• 化学式: C₇H₈ClNO*ClH
• 分子量: 194.061
• InChiKey: LKRVUMSODLOUGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 储存条件：
  室温、密封、干燥

反应信息

• 作为反应物：
  描述：

  5-(氯甲基)-2-甲氧基吡啶盐酸盐(1:1) 在 氢氧化钾 、 三乙胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 4.5h， 生成 1,2-dihydro-2-[3-(6-methoxypyridyl)methyl]-3H-indazol-3-one
  参考文献：
  名称：

  Indazolinones, a new series of redox-active 5-lipoxygenase inhibitors with built-in selectivity and oral activity

  摘要：

  Since the hypothetical mechanisms of hydroperoxydation of arachidonic acid by, respectively, 5-lipoxygenase (5-LPO) and cyclooxygenase (CO) involve a redox cycle, a compound which reduces 5-LPO and CO to their inactive state would give a nonselective inhibitor of both enzymes. Structural modifications of such a compound could be expected to give improved potency and selectivity for 5-LPO and oral activity. Such an approach has led to the discovery of 1,2-dihydroindazol-3-ones which are potent 5-LPO inhibitors with various degrees of selectivity. Structure-activity relationship studies indicated that while N-1,N-2-unsubstituted and N-1-substituted derivatives are orally inactive, N-2-alkyl derivatives are orally active and inhibit both 5-LPO and CO. In contrast, N-2-benzyl derivatives are selective for 5-LPO but possess only weak oral activity. Further structural modifications have identified ICI 207968 [1,2-dihydro-2-(3-pyridylmethyl)-3H-indazol-3-one, 21a] which combines potent oral activity and high selectivity. Methemoglobin (MHb) induction by 21a in dog blood precluded its development for clinical use. Attempts at dissociating 5-LPO inhibitory properties and MHb formation showed that MHb formation in vitro seemed to be related to the redox potential of the compounds whereas 5-LPO inhibition was not. This study led to a series of 4-(N-n-pentylcarbamoyl)indazolinones which maintained in vitro 5-LPO potency but did not induce MHb.

  DOI：

  10.1021/jm00107a023
• 作为产物：
  描述：

  (6-甲氧基吡啶-3-基)甲醇 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 以91 %的产率得到5-(氯甲基)-2-甲氧基吡啶盐酸盐(1:1)
  参考文献：
  名称：

  [EN] PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS
  [FR] DÉRIVÉS DE PHTALAZINE UTILISÉS COMME MODULATEURS DE LA PYRUVATE KINASE

  摘要：

  The invention relates to compounds of formula (Ia) and to their use in treating or preventing an inflammatory disease, a disease associated with an undesirable immune response, cancer, obesity, a diabetic disease or a blood disorder: wherein RA, RB, RCand RD, X, Y1, Y2, Y3, Z1, Z2and m are as defined herein.

  公开号：

  WO2023079294A1

文献信息

• [EN] COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE FACTEUR-1 DE STIMULATION DE COLONIES (CSF-1R)
  申请人：GENZYME CORP

  公开号：WO2017015267A1

  公开（公告）日：2017-01-26

  Compounds of the formulas I and XIII, which are useful as colony stimulating factor-1 receptor inhibitors ("CSF 1R inhibitors").

  I和XIII式化合物，可用作促细胞增殖因子-1受体抑制剂（"CSF 1R抑制剂"）。
• TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS
  申请人：Genzyme Corporation

  公开号：US20150158847A1

  公开（公告）日：2015-06-11

  Tropomyosin-related kinase inhibitors (Trk inhibitors) are small molecule compounds useful in the treatment of disease. Trk inhibitors can be used as pharmaceutical agents and in pharmaceutical compositions. Trk inhibitors are useful in the treatment of inflammatory diseases, autoimmune disease, defects of bone metabolism and/or cancer, and are particularly useful in the treatment of osteoarthritis (OA), pain, and pain associated with OA. Trk inhibitors are also useful for inhibiting tropomyosin-related kinase A (TrkA), tropomyosin-related kinase B (TrkB), tropomyosin-related kinase C (TrkC), and/or c-FMS (the cellular receptor for colony stimulating factor-1 (CSF-1)).

  Tropomyosin相关激酶抑制剂（Trk抑制剂）是治疗疾病的小分子化合物。Trk抑制剂可用作药物代理和药物组合物。Trk抑制剂在治疗炎症性疾病、自身免疫疾病、骨代谢缺陷和/或癌症方面非常有用，特别适用于骨关节炎（OA）、疼痛以及与OA相关的疼痛的治疗。Trk抑制剂还可用于抑制与肌浆蛋白相关的激酶A（TrkA）、与肌浆蛋白相关的激酶B（TrkB）、与肌浆蛋白相关的激酶C（TrkC）和/或c-FMS（促红细胞生成因子-1（CSF-1）的细胞受体）有关的作用。
• SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：US20190160048A1

  公开（公告）日：2019-05-30

  The present application relates to novel substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-c][1,2,4]triazol-3-ones, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of lung inflammation disorders.

  该申请涉及新颖的取代5,6,7,8-四氢[1,2,4]三唑并[4,3-a]吡啶-3(2H)-酮和2,5,6,7-四氢-3H-吡咯[2,1-c][1,2,4]三唑-3-酮，其制备方法，以及其单独或组合使用用于治疗和/或预防疾病，以及其用于生产用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防肺部炎症性疾病。
• [EN] TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DE L'AMIDE TÉTRAHYDROQUINOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011159554A1

  公开（公告）日：2011-12-22

  The present invention is directed to tetrahydroquinoline amide compounds of formula (I) (Formula should be inserted here) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及公式（I）（应在此处插入公式）的四氢喹啉酰胺化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。该发明还涉及包含这些化合物的药物组合物，以及在治疗M1受体介导的疾病中使用这些化合物和组合物的用途。
• [(3-Pyridylalkyl)piperidylidene]benzocycloheptapyridine Derivatives as Dual Antagonists of PAF and Histamine
  作者：Elena Carceller、Manuel Merlos、Marta Giral、Dolors Balsa、Carmen Almansa、Javier Bartroli、Julian Garcia-Rafanell、Javier Forn

  DOI：10.1021/jm00043a009

  日期：1994.8

  A series of [(3-pyridylalkyl)piperidylidene]- and (nicotinoylpiperidylidene)benzocycloheptapyridine derivatives, Ia,b, were prepared and evaluated for PAF antagonist and H1 antihistamine activity. PAF antagonist activity was investigated by the in vitro PAF-induced platelet aggregation assay (PPA) and the in vivo PAF-induced hypotension test in rats (PH) and mortality test in mice (PM). For the evaluation

  制备了一系列的[（3-吡啶基烷基）哌啶基]-和（烟酰基哌啶基）苯并环庚吡啶衍生物Ia，b，并评价了PAF拮抗剂和H1抗组胺活性。通过体外PAF诱导的血小板聚集测定（PPA）和体内PAF诱导的大鼠低血压测试（PH）和小鼠的死亡率测试（PM），研究了PAF拮抗剂的活性。为了评估H1抗组胺药的活性，在血压正常的大鼠中使用了体外组胺引起的豚鼠回肠试验（HC）收缩和体内组胺引起的低血压试验（HH）。使用活性过敏性休克试验在小鼠中评估了化合物的潜在抗过敏活性。这些化合物在结构上与氯雷他定（1）有关，是通过用取代的3-吡啶基甲基和烟酰基部分取代1的乙氧羰基而生成的。抗PAF和H1抗组胺活性均显示出对吡啶环中取代基的确切性质和位置的高度依赖性。结合有（5-甲基-3-吡啶基）甲基的最佳结构19（UR-12592）表现出独特的双重活性，可抑制两种PAF诱导的作用（PPA，IC50 = 3.7 microM； PH，ID50