1-(propan-2-yloxy)-1H-benzotriazole | 57223-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(propan-2-yloxy)-1H-benzotriazole
• 英文别名: 1-isopropoxy-1H-benzotriazole；1-Propan-2-yloxybenzotriazole
• CAS: 57223-17-3
• 化学式: C₉H₁₁N₃O
• 分子量: 177.206
• InChiKey: MECXVBJKZIOIRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-羟基苯并三唑 、 2-溴丙烷 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以67%的产率得到1-(propan-2-yloxy)-1H-benzotriazole
  参考文献：
  名称：

  Synthesis and Evaluation of 1-hydroxybenzotriazole Derivatives: Dual Inhibitors of Carbonic Anhydrase II and Sodium Hydrogen Exchanger I

  摘要：

  缺血再灌注损伤是器官移植中移植物功能受损的原因，也与脑功能障碍、缺血性心脏病、全身炎症反应综合征、胃肠功能障碍和多器官功能障碍综合征有关。细胞内pH对于缺血再灌注损伤中的细胞存活至关重要。钠氢交换蛋白I和碳酸酐酶II在调节细胞内pH方面起着关键作用。在再灌注期间抑制钠氢交换蛋白I和碳酸酐酶II分别被发现可以缓解缺血再灌注损伤。为了在缺血再灌注损伤治疗中获得更好的潜在药物分子，尝试合成钠氢交换蛋白和碳酸酐酶的双重抑制剂。羟基苯并三唑被认为是这种双重活性的中心药效团，合成了12种衍生物。所有衍生物均经过测试，用于检测钠氢交换蛋白I和碳酸酐酶II的抑制活性。对甲磺酸酯衍生物（12）发现是最有效的衍生物，对碳酸酐酶II的IC50为158.7±8.4 μM，对钠氢交换蛋白I的IC50为31.07±1.06 μM。尽管其效力低于标准药物，但这是对碳酸酐酶II和钠氢交换蛋白的双重抑制剂的首次报道。

  DOI：

  10.2174/1570178617999201014164710

文献信息

• METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE INTERMEDIATE BY ADDITION OF ACID AND USE THEREOF
  申请人：MABPLEX INTERNATIONAL CO., LTD.

  公开号：US20210393733A1

  公开（公告）日：2021-12-23

  Provided is a method for producing an antibody-drug conjugate intermediate by addition of acid. An acid additive is used to convert the monomethyl auristatin derivative into a salt thereof to participate in the reaction. The addition of the acid additive can significantly improve the yield of the final product. In addition, the low price of the acid additive greatly reduces the production cost of the final ADC product. Moreover, the method of the present invention adopts a one-step preparation process, in addition to a higher yield of the final product, not only reducing the cost of the consumables, labor, equipment, site, raw materials and the like in the production, but also greatly reducing the production of the waste liquid, and thus reducing production costs and improving production efficiency, and making the method suitable for industrial large-scale production.

  提供了一种通过添加酸来制备抗体药物结合物中间体的方法。使用酸添加剂将单甲基奥利斯塔汀衍生物转化为其盐以参与反应。添加酸添加剂可以显著提高最终产品的产量。此外，酸添加剂的低价格大大降低了最终ADC产品的生产成本。此外，本发明的方法采用一步法制备过程，除了最终产品产量更高外，不仅减少了生产中的耗材、劳动力、设备、场地、原材料等成本，还大大减少了废液的产生，从而降低了生产成本，提高了生产效率，并使该方法适用于工业大规模生产。
• COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, KIT, AND COMPOUND
  申请人：Dublanchet Anne-Claude

  公开号：US20130017162A1

  公开（公告）日：2013-01-17

  The invention relates to a cosmetic composition, especially a hair composition, and to a method for the cosmetic treatment of keratin materials, especially of the hair, employing compounds of formula: in which Z represents (i) a hydrogen atom, (ii) a linear or branched C1 to C32 (saturated) alkyl radical; (iii) a linear or branched C2 to C32 (unsaturated) alkene radical, comprising one or two C═C double bonds; (iv) an aryl-substituted alkyl radical; said radicals being optionally substituted and/or interrupted.

  这项发明涉及一种化妆品组合物，特别是一种头发组合物，以及一种用于对角蛋白材料，特别是头发进行化妆处理的方法，采用以下式的化合物： 其中Z代表(i) 氢原子，(ii) 直链或支链的C1至C32（饱和）烷基基团；(iii) 直链或支链的C2至C32（不饱和）烯烃基团，包括一个或两个C═C双键；(iv) 芳基取代的烷基基团；所述基团可选择地被取代和/或中断。
• Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors
  申请人：Edlin Christopher David

  公开号：US20090131431A1

  公开（公告）日：2009-05-21

  The invention provides a compound of formula (I) or a salt thereof: wherein R 2 is H, C 1-3 alkyl, n-butyl, C 1-2 fluoroalkyl, cyclopropyl, cyclobutyl, (cyclopropyl)methyl-, —CN, or —CH 2 OH; R 3 is inter alia optionally substituted C 4-7 cycloalkyl or an optionally substituted heterocyclic group (aa), (bb) or (cc); R a is H, methyl or ethyl; R b is H or methyl; R 4 is H, methyl, ethyl, n-propyl, —C(O)-Me, or —C(O)—C 1 fluoroalkyl; and R 5 is: —C(O)—(CH 2 ) n —Ar, —C(O)-Het, —C(O)—C 1-6 alkyl, —C(O)—C 1 fluoroalkyl, —C(O)—(CH 2 ) 2 —C(O)—NR 15b NR 15b , —C(O)—CH 2 —C(O)—NR 15b NR 15b , —C(O)—NR 15b —(CH 2 )m 1 —Ar, —C(O)—NR 15b —Het, —C(O)—NR 15b —C 1-6 alkyl, —C(O)—NR 5a R 5b , —S(O) 2 —(CH 2 ) m 2 —Ar, —S(O) 2 -Het, —S(O) 2 —C 1-6 alkyl, or —CH 2 —Ar; or R 4 and R 5 taken together are —(CH 2 ) p 1 —, —(CH 2 ) 2 —X 5 —(CH 2 ) 2 —, —C(O)—(CH 2 ) p 2 —, —C(O)—N(R 15 )—(CH 2 ) p 3 —; or NR 4 R 5 is of sub-formula (y), (y1), (y2) or (y3). The invention provides the use of the compounds as inhibitors of phosphodiesterase type IV (PDE4) and/or for the treatment and/or prophylaxis of inflammatory and/or allergic diseases such as COPD and the like.

  该发明提供了化合物的结构式(I)或其盐：其中R2为H、C1-3烷基、正丁基、C1-2氟烷基、环丙基、环丁基、(环丙基)甲基、—CN或—CH2OH；R3为可选择地取代的C4-7环烷基或可选择地取代的杂环基(aa)、(bb)或(cc)；R为H、甲基或乙基；R为H或甲基；R为H、甲基、乙基、正丙基、—C(O)-甲基或—C(O)—C1氟烷基；以及R为：—C(O)—(CH2)n—Ar、—C(O)-Het、—C(O)—C1-6烷基、—C(O)—C1氟烷基、—C(O)—(CH2)2—C(O)—NR15bNR15b、—C(O)—CH2—C(O)—NR15bNR15b、—C(O)—NR15b—(CH2)m1—Ar、—C(O)—NR15b—Het、—C(O)—NR15b—C1-6烷基、—C(O)—NR5aR5b、—S(O)2—(CH2)m2—Ar、—S(O)2-Het、—S(O)2—C1-6烷基或—CH2—Ar；或R和R5一起为—(CH2)p1—、—(CH2)2—X5—(CH2)2—、—C(O)—(CH2)p2—、—C(O)—N(R15)—(CH2)p3—；或NR4R5为子式(y)、(y1)、(y2)或(y3)。该发明提供了这些化合物作为磷酸二酯酶IV型(PDE4)的抑制剂以及用于治疗和/或预防炎症和/或过敏性疾病，如慢性阻塞性肺病(COPD)等的用途。
• CATALYTIC CONVERSION OF CELLULOSE TO FUELS AND CHEMICALS USING BORONIC ACIDS
  申请人：Raines Ronald

  公开号：US20130178617A1

  公开（公告）日：2013-07-11

  Methods and catalyst compositions for formation of furans from carbohydrates. A carbohydrate substrate is heating in the presence of a 2-substituted phenylboronic acid (or salt or hydrate thereof) and optionally a magnesium or calcium halide salt. The reaction is carried out in a polar aprotic solvent other than an ionic liquid, an ionic liquid or a mixture thereof. Additional of a selected amount of water to the reaction can enhance the yield of furans.

  从碳水化合物中形成呋喃的方法和催化剂组合物。在存在2-取代苯硼酸（或其盐或水合物）以及可选的镁或钙卤化物盐的情况下，加热碳水化合物底物。反应在极性非质子溶剂中进行，该溶剂不是离子液体、离子液体或二者的混合物。向反应中添加适量的水可以增加呋喃的产量。
• PEPTIDE-DRUG CONJUGATES
  申请人：Hong Kong Baptist University

  公开号：US20210395309A1

  公开（公告）日：2021-12-23

  Provided herein are Bradykinin-potentiating peptide chemotherapeutic drug conjugates useful as cancer therapeutics, pharmaceutical compositions comprising the same, and methods of preparation and use thereof.

  本文提供了作为癌症治疗药物的缩激肽化学药物结合物，包括相同的制药组合物，以及其制备和使用方法。