1-菲羧酸,1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-,酸酐和1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-1-菲羧酸,(1R,4aR,4bR,10aR)- | 19897-44-0

• 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
• 中文名称: 1-菲羧酸,1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-,酸酐和1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-1-菲羧酸,(1R,4aR,4bR,10aR)-
• 英文名称: abietic anhydride
• 英文别名: [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl] (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
• CAS: 19897-44-0
• 化学式: C₄₀H₅₈O₃
• 分子量: 586.899
• InChiKey: NDTNEAIKTSZYCF-XWNHBAMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-菲羧酸,1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-,酸酐和1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-1-菲羧酸,(1R,4aR,4bR,10aR)- 在 氨 作用下， 以 苯 为溶剂， 以26%的产率得到Abietamide
  参考文献：
  名称：

  Bardyshev, Russian Journal of Organic Chemistry, 1999, vol. 35, # 1, p. 41 - 55

  摘要：

  DOI：
• 作为产物：
  描述：

  脂松香 在 乙酸酐 作用下， 反应 24.0h， 以88%的产率得到1-菲羧酸,1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-,酸酐和1,2,3,4,4a,4b,5,6,10,10a-十氢-1,4a-二甲基-7-(1-甲基乙基)-1-菲羧酸,(1R,4aR,4bR,10aR)-
  参考文献：
  名称：

  Bardyshev, Russian Journal of Organic Chemistry, 1999, vol. 35, # 1, p. 41 - 55

  摘要：

  DOI：

文献信息

• New hypocholesterolemic abietamide derivatives. I. Structure-activity relationship.
  作者：YUKIO FUJITA、KENJI SEMPUKU、KOJI KITAGUCHI、TAMIKI MORI、HIROMU MURAI、YOSHIAKI YOSHIKUNI、HIROSHI ENOMOTO、ROLAND LOSER

  DOI：10.1248/cpb.28.453

  日期：——

  Various amides of tetrahydroabietic, Δ8-dihydroabietic, abietic and dehydroabietic acids were prepared and tested for hypocholesterolemic activity in cholesterol-fed rats. The introduction of an aromatic ring into the amine moiety of secondary amides markedly enhanced the activity of the parent acids. The secondary amides having an aliphatic ring were slightly less active than those having an aromatic ring, but those having an alkyl or allyl group were completely inactive. Tetrahydroabietic and dihydroabietic acids appear to be preferable (in terms of activity) to abietic or dehydroabietic acid as the acid moiety of these amide derivatives. N-Phenyltetrahydro (18)- or N-phenyl-Δ8-dihydroabietamide (19) and N-benzyltetrahydro (20)- or N-benzyl-Δ8-dihydroabietamide (21) are considered to be promising parent compounds for potent hypocholesterolemic drugs. In the case of benzyl derivatives of Δ8-dihydroabietamide, N-(4-methoxybenzyl)-Δ8-dihydroabietamide (49) and N-(α-benzylbenzyl)-Δ8-dihydroabietamide (58) were the most active, being more than 10 times as potent as the corresponding parent compounds.

  制备了四氢阿比特酸、Δ8-二氢阿比特酸、阿比特酸和去氢阿比特酸的各种酰胺，并在喂养胆固醇的大鼠中测试其降胆固醇活性。在次级酰胺的氨基部分引入芳香环显著增强了母酸的活性。具有烷烃环的次级酰胺活性略低于那些具有芳香环的酰胺，而具有烷基或烯丙基的酰胺则完全不活跃。四氢阿比特酸和二氢阿比特酸似乎比阿比特酸或去氢阿比特酸更优越（就活性而言）作为这些酰胺衍生物的酸部分。N-苯基四氢阿比特酸（18）或N-苯基-Δ8-二氢阿比特酸酰胺（19）以及N-苄基四氢阿比特酸（20）或N-苄基-Δ8-二氢阿比特酸酰胺（21）被认为是具有潜力的有效降胆固醇药物的母体化合物。在Δ8-二氢阿比特酸酰胺的苄基衍生物中，N-(4-甲氧基苄基)-Δ8-二氢阿比特酸酰胺（49）和N-(α-苄基苄基)-Δ8-二氢阿比特酸酰胺（58）是最活跃的，其活性超过对应母体化合物的10倍以上。
• Sulphonated dehydrogenated sylvate, the preparation and use
  申请人：——

  公开号：US20040162341A1

  公开（公告）日：2004-08-19

  This invention relates to salts of sulfodehydroabietic acid with bismuth or zinc, a kind of new salt useful in treating digestive canal ulcer, acute & chronic gastritis, and erosive gastritis etc., as well as its preparation and use. Said salts can be represented by formula (1), wherein R is Bi(OH) ++ or Zn ++ , 2Bio + , 1/2ZnH, n=0-10. The preparation method comprises following steps: (a) sequentially treating the industrial abietic acid calcium salt with acid, base and extracting with organic solvent to give abietic acid with less isomer; (b) reacting said abietic acid with Pd/C to provide dehydroabietic acid, then converting it to pure sulphonic product, namely sulfodehydroabietic acid, via sulphonation and recrystallization; (c) by use of neutralization or salt displacement reaction to convert the sulphonic product of zinc or bismuth salts of sulfodehydroabietic acid. The resultant salts can used to prepare medicine for treating digestive canal ulcer and gastritis. 1

  本发明涉及硫代脱松香酸与铋或锌的盐，这是一种新的盐，可用于治疗消化道溃疡、急慢性胃炎、侵蚀性胃炎等疾病，以及其制备和使用。所述盐可以用公式（1）表示，其中R为Bi(OH)2+或Zn2+，2Bio+，1/2ZnH，n=0-10。制备方法包括以下步骤：(a)顺序处理工业松香酸钙盐，用酸、碱依次处理，并用有机溶剂提取，得到具有较少异构体的松香酸；(b)将所述松香酸与Pd/C反应，提供脱氢松香酸，然后通过磺化和重结晶将其转化为纯硫酸盐产物，即硫代脱松香酸；(c)通过中和或盐置换反应，将硫代脱松香酸的锌或铋盐的硫酸盐产物转化为盐。所得盐可用于制备治疗消化道溃疡和胃炎的药物。
• THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION
  申请人：Mitsui Chemicals, Inc.

  公开号：EP0879855A1

  公开（公告）日：1998-11-25

  A thermoplastic resin composition comprising: (A) a thermoplastic resin, (B) a surface active agent in an amount of 0.01 to 30 parts by weight based on 100 parts by weight of the thermoplastic resin, and (C) an organic compound in an amount of 0.01 to 30 parts by weight based on 100 parts by weight of the thermoplastic resin, said organic compound being a functional group-containing organic compound and containing 0.1 to 10 mmol/g of a functional group having two atoms a, b bonded to each other whose atomic charges Ea, Eb, as determined by calculation of molecular orbital method, satisfy the following relation (1):0.25 ≤ |Ea-Eb| ≤ 0.7 wherein Ea and Eb represent atomic charges of the atom a and the atom b, respectively. If films are produced from the thermoplastic resin composition, the films exhibit antistatic properties and anti-fogging properties immediately after the films are produced, and they retain stable properties over a long period of time.

  一种热塑性树脂组合物，包括 (A) 热塑性树脂、 (B) 一种表面活性剂，其用量为 0.01 至 30 份（按 100 份热塑性树脂的重量计），以及 (C) 一种有机化合物，其用量为 0.01 至 30 份（按 100 份热塑性树脂的重量计），所述有机化合物是一种含官能团的有机化合物，并含有 0.1 至 10 mmol/g 的官能团，该官能团具有两个原子 a、b，这两个原子相互键合，其原子电荷 Ea、Eb（通过分子轨道法计算确定）满足以下关系式 (1)：0.25 ≤ |Ea-Eb| ≤ 0.7 其中 Ea 和 Eb 分别代表原子 a 和原子 b 的原子电荷。 如果用热塑性树脂组合物生产薄膜，则薄膜在生产后立即具有抗静电性能和防雾性能，并能长期保持稳定的性能。
• HYDROGENCARBONATE WATER AND CLEANING METHOD USING SAME
  申请人：Gohda Water Treatment Technology Co., Inc.

  公开号：EP3502062A1

  公开（公告）日：2019-06-26

  The present invention relates to hydrogencarbonate water and a cleaning method using the hydrogencarbonate water. Provided are hydrogencarbonate water obtained by dissolving carbon dioxide in hydrogen water having a dissolved hydrogen concentration of 0.1 ppm to 2.0 ppm; and a cleaning method comprising cleaning a substrate by immersing the substrate in the hydrogencarbonate water, or spraying the hydrogencarbonate water to the substrate.

  本发明涉及碳酸氢盐水和使用碳酸氢盐水的清洗方法。本发明提供了通过将二氧化碳溶解在溶解氢浓度为 0.1 ppm 至 2.0 ppm 的氢水中而获得的碳酸氢盐水；以及一种清洁方法，包括通过将基质浸入碳酸氢盐水中或将碳酸氢盐水喷洒到基质上来清洁基质。
• Saturated and unsaturated abietane derivatives, derived conjugates and uses in a diagnostic composition, a reagent and a device
  申请人：——

  公开号：US20020155496A1

  公开（公告）日：2002-10-24

  The invention concerns a saturated or unsaturated abietane derivative of general formula (I) wherein: Z is selected among —COOR 5 , —CONR 1 R 2 , —COONR 3 R 4 , —COR 6 , —CON, —COOR 5 , —CHOHR 7 , —SR 8 , —OR 8 , —CN, —CNO, —CNS, —NCO, —NCS and —R 1 R 2 CR 9 ; wherein R 1 , R 2 , R 3 and R 4 represent a hydrogen atom, a C 1 -C 10 alkyl, a C 6 -C 20 aryl optionally substituted, a C 7 -C 10 alkene, a C 1 -C 10 alkyne, or an aminoacyl or peptidyl optionally substituted; or R 1 and R 2 or R 3 and R 4 together form a cycle or a heterocycle; R 5 represents a hydrogen, a C 1 -C 10 alkyl, a C 1 -C 10 alkene, a C 1 -C 10 alkyne, or an aryl optionally substituted into C 6 -C 20 ; R 6 represents a hydrogen, a halogen, a C 1 -C 10 alkyl, a C 1 -C 10 alkene, a C 1 -C 10 alkyne, or an aryl optionally substituted into C 6 -C 20 ; R 7 represents a hydrogen, a C 1 -C 10 alkyl, a C 1 -C 10 alkene, or a C 1 -C 10 alkyne; R 8 represents a hydrogen, a C 1 -C 10 alkyl, a C 1 -C 10 alkene, or a C 1 -C 10 alkyne; and R 9 is selected among —CN, —CNO, —CNS, —NCO and —NCS. The invention also concerns a derived conjugate and the use of the derivative and the conjugate in a diagnostic composition, a reagent and a device.

  本发明涉及通式(I)的饱和或不饱和硫杂环丁烷衍生物，其中：Z 选自 -COOR 5 、-CONR 1 R 2 , -COONR 3 R 4 , -COR 6 , -CON, -COOR 5 , -CHOHR 7 , -SR 8 , -OR 8 、-CN、-CNO、-CNS、-NCO、-NCS 和 -R 1 R 2 CR 9 其中 R 1 , R 2 , R 3 和 R 4 代表氢原子、C 1 -C 10 烷基、C 6 -C 20 可选取代的芳基，一个 C 7 -C 10 烯烃 1 -C 10 炔，或任选被取代的氨基酰基或肽基；或 R 1 和 R 2 或 R 3 和 R 4 共同形成一个循环或杂环； R 5 代表氢、C 1 -C 10 烷基、C 1 -C 10 烯烃、一种 C 1 -C 10 烯烃、C 1 -C 10 烯烃或可选被 C 6 -C 20 ; R 6 代表氢、卤素、C 1 -C 10 烷基、C 1 -C 10 烯烃、一种 C 1 -C 10 烯烃、C 1 -C 10 烯烃或可选被 C 6 -C 20 ; R 7 代表氢、C 1 -C 10 烷基 1 -C 10 烯烃，或 C 1 -C 10 炔烃；R 8 代表氢、C 1 -C 10 烷基 1 -C 10 烯烃，或 C 1 -C 10 炔烃；以及 R 9 选自-CN、-CNO、-CNS、-NCO 和-NCS。本发明还涉及一种衍生共轭物，以及该衍生物和共轭物在诊断组合物、试剂和装置中的用途。