3-甲基-2-丙-2-基丁酸 | 32118-53-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-甲基-2-丙-2-基丁酸
• 英文名称: 2-isopropyl-3-methylbutanoic acid
• 英文别名: diisopropylacetic acid；Diisopropylessigsaeure；3-methyl-2-propan-2-ylbutanoic acid
• CAS: 32118-53-9
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: GSZKHLKKYPBXKM-UHFFFAOYSA-N

物化性质

• 沸点：
  40-41 °C(Press: 5 Torr)
• 密度：
  0.8786 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  3-甲基-2-丙-2-基丁酸 在 lithium aluminium tetrahydride 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 2-Isopropyl-3-methyl-1-butanol
  参考文献：
  名称：

  新型支链烷基氨基甲酸酯的合成及其抗惊厥活性的评价

  摘要：

  合成了一类新型的19种氨基甲酸酯，并在大鼠最大电击（MES）和皮下甲硝唑（scMet）癫痫发作测试和毛果芸香碱引起的癫痫持续状态（SE）模型中比较了它们的抗惊厥活性。尽管所述烷基氨基甲酸酯紧密的结构特征，仅化合物34，38，和40都处于活动状态的MES试验。癫痫发作后30分钟，类似物2-乙基-3-甲基-丁基-氨基甲酸酯（34）和2-乙基-3-甲基-戊基-氨基甲酸酯（38）也表现出有效的活性。将同源氨基甲酸酯的脂族侧链从7延伸到8（34到35）和同源物38和43中的8至9个碳降低了毛果芸豆SE模型中的活性，从ED 50 = 81 mg / kg（34）降至94 mg / kg（35）和96 mg / kg（38）。分别达到114 mg / kg（43）。最有效的氨基甲酸酯，苯基-乙基-氨基甲酸酯（47）（MES ED 50 = 16 mg / kg）在其结构中包含一个芳香族部分。化合物34，

  DOI：

  10.1021/jm201751x
• 作为产物：
  描述：

  2-cyano-2-isopropyl-3-methyl-butyric acid 在 盐酸 作用下， 生成 3-甲基-2-丙-2-基丁酸
  参考文献：
  名称：

  Exercise-induced microalbuminuria in patients with active acromegaly: Acute effects of slow-release lanreotide, a long-acting somatostatin analog

  摘要：

  Recent clinical studies have demonstrated an increase of urinary albumin excretion (UAE) at rest in acromegalic patients and, on the other hand, a reduced UAE in patients with growth hormone (GH) deficiency. Physical exercise is known to induce abnormal UAE in patients with diabetes, probably unmasking early glomerular alterations. The effect of exercise on UAE in acromegaly is not known. Moreover, the effect of acute but sustained GH inhibition in acromegaly on UAE at rest and after exercise has never been studied. The aim of our study was to evaluate the acute short-term effects of slow-release lanreotide (SR-L), a long-acting somatostatin analog, on UAE and alpha 1-microglobulinuria (A-1-M), a marker of renal tubular damage, at rest and after exercise in 7 normotensive patients with active acromegaly and normal renal function (4 males and 3 females; mean age, 53 +/- 3.1 years; body mass index [BMI], 27.3 +/- 1.1 kg/m(2)) at baseline and 7 and 14 days after SR-L injection (30 mg). Two of the acromegalic patients were microalbuminuric at rest, and in other 3 cases, UAE was in the borderline range (10 to 20 mu g/min). At baseline in the acromegalic subjects, we found a significant increase in UAE at rest with respect to 7 normal subjects considered as a control group. GH and insulin-like growth factor-1 (IGF-1) were also reduced compared with baseline 7 and 14 days after SR-L injection (GH, 13.4 +/- 7.3 and 13.61 +/- 7 v 18.5 +/- 9.3 mu g/L, P < .05; IGF-1, 230 +/- 53 and 255 +/- 54 v 275 +/- 64 mu g/L). Concomitantly, we observed a significant decrease of UAE at rest and after exercise and 7 and 14 days after SR-L injection as compared with baseline values (27.3 +/- 20.5 and 18.2 +/- 13.7 v 35.3 +/- 12.8 mu g/min, P < .05; exercise, 48.5 +/- 24.1 and 18.6 +/- 6.8 v 68.3 +/- 39.7 mu g/min, P < .05). A-1-M always remained in the normal range (<12 mg/L) both at rest and after exercise. We can thus conclude that in acromegaly, submaximal exercise induces abnormal increases in microalbuminuria. We hypothesize that this phenomenon may be due to the functional glomeruler involvement. SR-L can significantly reduce UAE at rest and after exercise in the short-term in acromegaly, probably via a decrease in circulating GH levels. Copyright (C) 2000 by W.B. Saunders Company.

  DOI：

  10.1016/s0026-0495(00)80040-2

文献信息

• NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS
  申请人：Stewart Andrew O.

  公开号：US20100130558A1

  公开（公告）日：2010-05-27

  The present application relates to calcium channel inhibitors containing compounds of formula (I) wherein L 1 , L 2 , R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式（I）化合物的钙通道抑制剂，其中L1、L2、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Sulfonylethyl phosphorodiamidates
  申请人：Allen R. David

  公开号：US20050267075A1

  公开（公告）日：2005-12-01

  Sulfonylethyl and thioethyl phosphorodiamidates, their preparation and intermediates in their preparation, formulations containing them, and their pharmaceutical use. The compounds are useful for treating cancer, alone and in combination with other anticancer therapies.

  磺酰乙基和硫乙基磷酰二胺酸酯，它们的制备及制备过程中的中间体，含有它们的配方，以及它们的药用。这些化合物可用于治疗癌症，单独或与其他抗癌疗法结合使用。
• NO-RELEASING NITROOXY-CHROMENE CONJUGATES
  申请人：EUCLISES PHARMACEUTICALS, INC.

  公开号：US20160340330A1

  公开（公告）日：2016-11-24

  The present invention provides NO-releasing nitrooxy-alkylenyl-linked-chromene conjugates, having the structure of Formula (1) wherein R1, R2, R3, R4, X, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound o Formula (I); and methods useful for healing wounds, preventing and treating cancer and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (1).

  本发明提供了NO释放的硝基氧烷基连接的色酮共轭物，其具有如下式（1）的结构，其中R1、R2、R3、R4、X和L如详细描述中所定义；包含至少一种Formula（I）化合物的药物组合物；以及使用Formula（1）化合物有益于愈合伤口、预防和治疗癌症以及治疗光老化性角化症、囊性纤维化和痤疮的方法。
• NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES
  申请人：Euclises Pharmaceuticals, Inc.

  公开号：US20150197494A1

  公开（公告）日：2015-07-16

  The present invention provides NO-releasing nitrooxy-alkylene-linked-celecoxib conjugates, having the structure of Formula (I): wherein R 1 , R 2 , Q, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound of Formula (I); and methods useful for healing wounds, preventing and treating cancer, and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (I).

  本发明提供了NO释放的硝基氧烷基连接的Celecoxib共轭物，其具有如下式（I）的结构： 其中R1、R2、Q和L如详细描述中所定义；包含至少一种式（I）化合物的药物组合物；以及使用式（I）化合物有益于愈合伤口、预防和治疗癌症、治疗日光性角化症、囊性纤维化和痤疮的方法。
• Auf das Zentralnervensystem wirkende Substanzen XXIX. Über neuartige schwefelhaltige Heterocyclen: 4,4-Dialkyl-1,2-thioazetidin-3-on-1,1-dioxide und 2,4,4-Trialkyl-1,2-thioazetidin-3-on-1,1-dioxide
  作者：Bruno J. R. Nicolaus、Elvio Bellasio、Emilio Testa

  DOI：10.1002/hlca.19620450238

  日期：——

  Es wird der Aufbau von 4,4-Dialkyl-1, 2-thioazetidin-3-on-1,1-dioxiden beschrieben, die Derivate eines bisher praktisch unbekannten viergliedrigen Heterocyclus mit zwei benachbarten Heteroatomen sind. Diese Substanzen werden aus den α,α-Dialkylsulfonylessigsäure-dinatriumsalzen über die entsprechenden Säuredichloride mit Ammoniak erhalten. Neben der Synthese wird über chemische und physikalische Eigenschaften

  Es wird der Aufbau von 4,4-Dialkyl-1，2-thioazetidin-3-on-1,1-dioxiden beschrieben，die Erivs bisher praktisch unbekannten viergliedrigen Heterocyclus mit zwei benachbarten Heteroatomen sind。Diese Substanzen werden aus denα，α-Dialkylsulfonylessigsäure-dinatriumsalzenüberdie entsprechendenSäuredichloridemit Ammoniak erhalten。Neben der Synthese wirdüberchemische und physikalische Eigenschaften dieser neuen

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