2-Carboxy-p-cymol | 3754-72-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-Carboxy-p-cymol
• 英文别名: 2-Methyl-5-isopropyl-benzoesaeure；5-isopropyl-2-methyl-benzoic acid；5-Isopropyl-2-methyl-benzoesaeure；p-Cymol-carbonsaeure-(2)；1-Methyl-4-isopropyl-benzol-carbonsaeure-(2)；2-methyl-5-propan-2-ylbenzoic acid
• CAS: 3754-72-1
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: QCTZFEMYDOAQLE-UHFFFAOYSA-N

物化性质

• 熔点：
  71.7 °C(Solv: acetic acid (64-19-7); water (7732-18-5))
• 沸点：
  171-172 °C(Press: 20 Torr)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  2-Carboxy-p-cymol 在 吡啶 、 五氯化磷 作用下， 生成 5-isopropyl-2-methyl-benzoic acid methyl ester
  参考文献：
  名称：

  Bogert; Tuttle, Journal of the American Chemical Society, 1916, vol. 38, p. 1353

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(5-异丙基-2-甲基苯基)乙酮 在 1,4-二氧六环 、 次溴酸钾 作用下， 生成 2-Carboxy-p-cymol
  参考文献：
  名称：

  Sukh Dev; Guha, Journal of the Indian Chemical Society, 1948, vol. 25, p. 13,16

  摘要：

  DOI：

文献信息

• [EN] SYNTHESIS OF BIS(ACYL)PHOSPHINES BY ACTIVATION OF UNREACTIVE METAL PHOSPHIDES<br/>[FR] SYNTHÈSE DE BIS(ACYL)PHOSPHINES PAR ACTIVATION DE PHOSPHURES MÉTALLIQUES NON RÉACTIFS
  申请人：IGM GROUP B V

  公开号：WO2018219994A1

  公开（公告）日：2018-12-06

  The present invention refers to a process for the preparation of a mono(acyl)phosphine of the general formula (I) and/or a bis(acyl)phosphine of the general formula (II), wherein R1, R2, R3, R4 and R5 are the same or different and are independently selected from H, halogen, linear or branched C1-C20-alkyl, linear or branched C2-C8-alkenyl, C1-C8-alkoxy, C2-C8-alkenyloxy, C3-C8-cycloalkyl, C6-C12-aryl, C3-C8-cycloalkoxy, C7-C12-arylalkoxy, C9-C15-alkenylarylalkoxy, nitro-, C6-C12-arylsulfonyl, 4-alkylarylsulfonyl, C1-C20-alkylcarboxy, C1-C8-alkoxycarbonyl, SR14, NHR14 or NR14R15 with R14 and R15 being independently selected from H, linear or branched C1-C20-alkyl, linear or branched C2-C8-alkenyl and C3-C8-cycloalkyl, and an O-, S-or N-containing 5-or 6-membered heterocyclic ring; R6 is H or R6 is replaced by an alkaline earth metal cation or a mixed alkali metal/alkaline earth metal cation; Formula (II) wherein R1, R2, R3, R4, R5, R7, R8, R9, R10 and R11 are the same or different and are independently selected from H, halogen, linear or branched C1-C20-alkyl, linear or branched C2-C8-alkenyl, C1-C8-alkoxy, C2-C8-alkenyloxy, C3-C8-cycloalkyl, C6-C12-aryl, C3-C8-cycloalkoxy, C7-C12-arylalkoxy, C9-C15-alkenylarylalkoxy, nitro-, C6-C12-arylsulfonyl, 4-alkylarylsulfonyl, C1-C20-alkylcarboxy, C1-C8-alkoxycarbonyl, SR14, NHR14 or NR14R15 with R14 and R15 being independently selected from H, linear or branched C1-C20-alkyl, linear or branched C2-C8-alkenyl and C3-C8-cycloalkyl, and an O-, S-or N- containing 5- or 6-membered heterocyclic ring; as well as the mono(acyl)phosphine and/or bis(acyl)phosphine obtained by the process.

  本发明涉及一种制备一种一(酰基)膦的一般式(I)和/或一种二(酰基)膦的一般式(II)的过程，其中R1、R2、R3、R4和R5相同或不同，可独立地选择自H、卤素、直链或支链的C1-C20-烷基、直链或支链的C2-C8-烯基、C1-C8-烷氧基、C2-C8-烯氧基、C3-C8-环烷基、C6-C12-芳基、C3-C8-环烷氧基、C7-C12-芳基烷氧基、C9-C15-烯基芳基烷氧基、硝基、C6-C12-芳基磺酰基、4-烷基芳基磺酰基、C1-C20-烷基羧基、C1-C8-烷氧羰基、SR14、NHR14或NR14R15，其中R14和R15可独立地选择自H、直链或支链的C1-C20-烷基、直链或支链的C2-C8-烯基和C3-C8-环烷基，以及含有O、S或N的5-或6-成员杂环；R6为H或R6被碱土金属阳离子或混合碱金属/碱土金属阳离子取代；公式(II)中R1、R2、R3、R4、R5、R7、R8、R9、R10和R11相同或不同，可独立地选择自H、卤素、直链或支链的C1-C20-烷基、直链或支链的C2-C8-烯基、C1-C8-烷氧基、C2-C8-烯氧基、C3-C8-环烷基、C6-C12-芳基、C3-C8-环烷氧基、C7-C12-芳基烷氧基、C9-C15-烯基芳基烷氧基、硝基、C6-C12-芳基磺酰基、4-烷基芳基磺酰基、C1-C20-烷基羧基、C1-C8-烷氧羰基、SR14、NHR14或NR14R15，其中R14和R15可独立地选择自H、直链或支链的C1-C20-烷基、直链或支链的C2-C8-烯基和C3-C8-环烷基，以及含有O、S或N的5-或6-成员杂环；以及由该过程获得的一(酰基)膦和/或二(酰基)膦。
• INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY
  申请人：SHIONOGI & CO., LTD

  公开号：US20150203450A1

  公开（公告）日：2015-07-23

  Disclosed is a compound which is useful as an AMPK activator. A compound represented by formula: or its pharmaceutically acceptable salt, wherein Y is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, or substituted or unsubstituted heterocyclyl; T is —CR 7 ═ or —N═; U is —CR 8 ═ or —N═; R 2 is hydrogen, halogen, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted acyl, substituted or unsubstituted carbamoyl, substituted or unsubstituted alkylthio, substituted or unsubstituted alkylsulfinyl, substituted or unsubstituted alkylsulfonyl, or substituted or unsubstituted alkyloxycarbonyl; R 3 is halogen, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted heterocyclyl, or the like; and R 4 , R 7 and R 8 are each independently hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted heterocyclyl, or the like.

  本申请公开了一种作为AMPK激活剂有用的化合物。一种由以下结构表示的化合物或其药学上可接受的盐，其中Y被取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基，取代或未取代的杂环芳基，取代或未取代的环烷基，取代或未取代的环烯基，或取代或未取代的杂环烷基；T为—CR7═或—N═；U为—CR8═或—N═；R2为氢，卤素，氰基，硝基，羧基，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的酰基，取代或未取代的氨基甲酰基，取代或未取代的烷基硫基，取代或未取代的烷基亚砜基，取代或未取代的烷基砜基，或取代或未取代的烷氧羰基；R3为卤素，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基，取代或未取代的杂环芳基，取代或未取代的环烷基，取代或未取代的环烯基，取代或未取代的杂环烷基，或类似物；且R4、R7和R8分别独立地为氢，卤素，羟基，氰基，硝基，羧基，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基，取代或未取代的杂环芳基，取代或未取代的环烷基，取代或未取代的环烯基，取代或未取代的杂环烷基，或类似物。
• HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT
  申请人：Tonogaki Keisuke

  公开号：US20130184240A1

  公开（公告）日：2013-07-18

  Disclosed is a compound which is useful as an AMPK activator. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein a group represented by the formula: is a group represented by the formula: R 1 is each independently halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like; m is an integer of 0 to 3; R 2 is hydrogen, or substituted or unsubstituted alkyl; X is —O—; and Y is substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl.

  揭示了一种作为AMPK激活剂有用的化合物。一种由以下公式表示的化合物：其药学上可接受的盐，或其溶剂化合物，其中由以下公式表示的基团：是由以下公式表示的基团：R1是各自独立的卤素、羟基、氰基、硝基、羧基、取代或未取代的烷基、取代或未取代的烯烃基或类似物；m是0到3的整数；R2是氢，或取代或未取代的烷基；X是—O—；Y是取代或未取代的芳基，或取代或未取代的杂环芳基。
• MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS
  申请人：Hadida Ruah Sara S.

  公开号：US20130296364A1

  公开（公告）日：2013-11-07

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS
  申请人：Brandeis University

  公开号：US20150210727A1

  公开（公告）日：2015-07-30

  Disclosed are compounds and pharmaceutically acceptable salts thereof, which are useful as inhibitors of IMPDH. In certain embodiments, a compound selectively inhibits a parasitic IMPDH versus a host IMPDH. Also disclosed are pharmaceutical compositions comprising one or more compounds of the invention. Related methods of treating various parasitic and bacterial infections in mammals are disclosed. Moreover, the compounds may be used alone or in combination with other therapeutic or prophylactic agents, such as anti-virals, anti-inflammatory agents, antimicrobials and immunosuppressants.

  本发明公开了一种化合物及其药学上可接受的盐，它们可用作IMPDH的抑制剂。在某些实施例中，该化合物选择性地抑制寄生IMPDH而不影响宿主IMPDH。本发明还公开了包含本发明中一种或多种化合物的制药组合物。公开了治疗哺乳动物中各种寄生虫和细菌感染的相关方法。此外，这些化合物可单独或与其他治疗或预防药物，如抗病毒药物、抗炎药物、抗微生物药物和免疫抑制剂一起使用。