4-氨基-2-异丙基苯甲醚 | 91251-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氨基-2-异丙基苯甲醚
• 中文别名: 3-异丙基-4-甲氧基苯胺；氯嘧磺隆
• 英文名称: 4-Amino-2-isopropyl-anisol
• 英文别名: 3-Isopropyl-4-methoxyaniline；4-methoxy-3-propan-2-ylaniline
• CAS: 91251-42-2
• 化学式: C₁₀H₁₅NO
• 分子量: 165.235
• InChiKey: IQZLIGNZLCVEKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  4-氨基-2-异丙基苯甲醚 在 potassium dihydrogenphosphate 、 potassium nitrososulfonate 、 三溴化硼 、 四氯化锡 、 二乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 7.08h， 生成 3-Propan-2-yl-7,8,9,10-tetrahydrophenanthridine-1,2-dione
  参考文献：
  名称：

  Compounds from Danshen. Part 4. Structure-activity relationship of miltirone, an active central benzodiazepine receptor ligand isolated from Salvia miltiorrhiza Bunge (Danshen)

  摘要：

  Twenty one o-quinonoid-type compounds and one coumarin-type compound related to miltirone (1) have been synthesized with the aim to identify the key structural elements involved in miltirone's interaction with the central benzodiazepine receptor. On the basis of their inhibition of [H-3]flunitrazepam binding to bovine cerebral cortex membranes, it is apparent that ring A of miltirone is essential for affinity. Although increasing the size of ring A from six-membered to seven- and eight-membered is well-tolerated, the introduction of polar hydroxyl groups greatly reduces binding affinity. The presence of 1,1-dimethyl groups on ring A is, however, not essential. On the other hand, the isopropyl group on ring C appears to be critical for binding as its removal decreases affinity by more than 30-fold. It can, however, be replaced with a methyl group with minimal reduction in affinity. Finally, linking ring A and B with a -CH2CH2- bridge results in analogue 89, which is 6 times more potent than miltirone at the central benzodiazepine receptor (IC50 = 0.05-mu-M).

  DOI：

  10.1021/jm00109a022
• 作为产物：
  描述：

  2-异丙基苯甲醚 在 盐酸 、 tin 、 硝酸 作用下， 生成 4-氨基-2-异丙基苯甲醚
  参考文献：
  名称：

  Compounds from Danshen. Part 4. Structure-activity relationship of miltirone, an active central benzodiazepine receptor ligand isolated from Salvia miltiorrhiza Bunge (Danshen)

  摘要：

  Twenty one o-quinonoid-type compounds and one coumarin-type compound related to miltirone (1) have been synthesized with the aim to identify the key structural elements involved in miltirone's interaction with the central benzodiazepine receptor. On the basis of their inhibition of [H-3]flunitrazepam binding to bovine cerebral cortex membranes, it is apparent that ring A of miltirone is essential for affinity. Although increasing the size of ring A from six-membered to seven- and eight-membered is well-tolerated, the introduction of polar hydroxyl groups greatly reduces binding affinity. The presence of 1,1-dimethyl groups on ring A is, however, not essential. On the other hand, the isopropyl group on ring C appears to be critical for binding as its removal decreases affinity by more than 30-fold. It can, however, be replaced with a methyl group with minimal reduction in affinity. Finally, linking ring A and B with a -CH2CH2- bridge results in analogue 89, which is 6 times more potent than miltirone at the central benzodiazepine receptor (IC50 = 0.05-mu-M).

  DOI：

  10.1021/jm00109a022

文献信息

• [EN] INHIBITORS OF ADENYLATE-FORMING ENZYME MENE<br/>[FR] INHIBITEURS DE L'ENZYME MENE FORMANT L'ADÉNYLATE CYCLASE
  申请人：MEMORIAL SLOAN KETTERING CANCER CENTER

  公开号：WO2020163673A1

  公开（公告）日：2020-08-13

  Provided herein are compounds of Formula (I) and pharmaceutically acceptable salts or tautomers thereof which may inhibit adenylate-forming enzymes. Also provided are pharmaceutical compositions, kits, uses, and methods involving the inventive compounds for the treatment and/or prevention of an infectious disease (e.g., bacterial infection (e.g., tuberculosis, methicillin- resistant Staphylococcus aureus)).

  本文提供了式（I）的化合物及其药用可接受的盐或互变异构体，这些化合物可能抑制腺苷酸形成酶。还提供了涉及这些创新化合物用于治疗和/或预防传染病（例如细菌感染（例如结核病、耐甲氧西林金黄色葡萄球菌））的药物组合物、试剂盒、用途和方法。
• Diaminopyrimidines as P2X3 and P2X2/3 modulators
  申请人：Dillon Patrick Michael

  公开号：US20070049610A1

  公开（公告）日：2007-03-01

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein A, D, E, G, J, X, Y, Z R 6 , R 7 and R 8 are as defined herein. Also provided are methods of using the compounds for treating diseases mediated by a P2X 3 and/or a P2X 2/3 receptor antagonist and methods of making the compounds.

  化合物的结构式I：或其药用可接受的盐，其中A、D、E、G、J、X、Y、Z、R6、R7和R8的定义如本文所述。还提供了使用这些化合物治疗由P2X3和/或P2X2/3受体拮抗剂介导的疾病的方法，以及制备这些化合物的方法。
• Pyridine-based thyroid receptor ligands
  申请人：——

  公开号：US20040039028A1

  公开（公告）日：2004-02-26

  Novel pyridine-based thyroid receptor ligands are provided which have the general formula I 1 wherein: X is oxygen (—O—), sulfur (—S—), sulfoxide (—S(O)—), sulfonyl (—SO 2 —), CR 8 R 8 ′ or NR 8 ; Y is —NR 8 , oxygen (—O—), —CH 2 — or sulfur (—S—); Z is a bond or substituted or unsubstituted C 1-4 alkyl; and wherein the substituents are as described herein. In addition, a method is provided for preventing, inhibiting or treating diseases or disorders associated with metabolism dysfunction or which are dependent upon the expression of a T 3 regulated gene, wherein a compound as described above is administered in a therapeutically effective amount.

  提供了一种新型吡啶基甲状腺受体配体，其具有以下通式I1： 其中： X为氧（—O—）、硫（—S—）、亚砜（—S(O)—）、磺酰（—SO2—）、CR8R8′或NR8； Y为—NR8、氧（—O—）、—CH2—或硫（—S—）； Z为键或取代或未取代的C1-4烷基； 其中所述的取代基如上所述。 此外，提供了一种方法，用于预防、抑制或治疗与代谢功能障碍有关的疾病或紊乱，或者与T3调节基因的表达有关的疾病或紊乱，其中上述化合物以治疗有效量的方式给予。
• Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst
  申请人：L'OREAL

  公开号：US10251827B2

  公开（公告）日：2019-04-09

  The invention relates to a process for dyeing keratin fibers, comprising the use of one or more metal catalysts and of a composition (A) comprising: —one or more oxidizing agents, and —at least one monoaminobenzene of formula (I), or an addition salt or solvate thereof in which the radicals R1 to R5 represent, independently of each other: a hydrogen atom; a halogen atom, a C1-C6 alkyl radical, a C1-C6 alkoxy radical, a carboxylic radical (—COOH), a sulfonic radical (—S03 H); two of the adjacent radicals R1 to R5 possibly forming, with the carbon atoms that bear them, a saturated or unsaturated 5- to 7-membered ring, optionally comprising from 1 to 2 heteroatoms, preferably oxygen, the said ring being optionally fused with a saturated or unsaturated 5- to 6-membered ring; on condition that at least one of the radicals R1 to R5 represents an optionally substituted alkoxy radical and preferably at least one of the other radicals R1 to R5 is a hydrogen atom.

  本发明涉及一种角蛋白纤维染色工艺，包括使用一种或多种金属催化剂和一种组合物（A），组合物（A）包括： -一种或多种氧化剂，和 -至少一种式（I）的单胺苯，或其加成盐或溶液，其中自由基 R1 至 R5 各自代表：氢原子、卤素原子、C1-C6 烷基、C1-C6 烷氧基、羧基 (-COOH)、磺酸基 (-S03 H)；R1 至 R5 中相邻的两个基团可与含有它们的碳原子形成饱和或不饱和的 5 至 7 元环，可选择包含 1 至 2 个杂原子，最好是氧，所述环可选择与饱和或不饱和的 5 至 6 元环融合；条件是 R1 至 R5 自由基中至少有一个代表任选取代的烷氧基，且 R1 至 R5 自由基中至少有一个是氢原子。
• Thyromimetics. I. The Synthesis and Hypocholesteremic Activity of Some 3' and 3',5'-Alkyl and Aryl-3,5-diiodothyronines
  作者：Benjamin Blank、Francis R. Pfeiffer、Cyrus M. Greenberg、James F. Kerwin

  DOI：10.1021/jm00341a020

  日期：1963.9