8-苯甲酰氨基辛酸 | 43218-50-4

• 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: 8-苯甲酰氨基辛酸
• 英文名称: N-benzoyl-8-aminooctanoic acid
• 英文别名: 8-(benzoylamino)octanoic acid；8-benzoylaminooctanoic acid；8-benzoylamino-octanoic acid；8-Benzoylamino-octansaeure；8-benzamidooctanoic acid
• CAS: 43218-50-4
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: KTDXBSZMCLIHCO-UHFFFAOYSA-N

物化性质

• 熔点：
  87-88 °C
• 沸点：
  501.6±33.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-苯甲酰氨基辛酸 在 盐酸 、 磺酰氯 、 碘 作用下， 生成 2,8-diamino-octanoic acid
  参考文献：
  名称：

  Takagi; Hayashi, Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 96

  摘要：

  DOI：
• 作为产物：
  描述：

  在 sodium carbonate 作用下， 生成 8-苯甲酰氨基辛酸
  参考文献：
  名称：

  Studies Directed at the Use of a Parallel Synthesis Matrix to Increase Throughput in an in Vivo Assay

  摘要：

  Heparin is the anticoagulant of choice for hospitalized patients, but it is dosed only by injection because it is not absorbed following oral administration. We have discovered and prepared compounds (delivery agents) that facilitate the gastrointestinal absorption of heparin in rats, monkeys, and humans when given orally. We are currently developing a parallel synthesis approach to increase our delivery agent screening throughput in vivo. This approach has been used to produce micromolar quantities of compounds for testing in rats in a 5 x 5 parallel synthesis array. Using an amine benzoylation reaction sequence, 10 mixtures were prepared. These mixtures contained equal weight quantities of five N-substituted, non-alpha, amino acid delivery agents. Each of these mixtures was orally administered to rats in combination with heparin, and plasma clotting times (APTT) were measured to determine activity. Deconvolution of the data accurately identified the most active individual components. Independent synthesis of these compounds verified their activity. This parallel synthesis approach is an effective tool for the screening of oral heparin delivery agents and has increased screening throughput significantly.

  DOI：

  10.1021/jm990416r

文献信息

• The [(Cp)M(CO) ₃ ] (M=Re, ^99m Tc) Building Block for Imaging Agents and Bioinorganic Probes: Perspectives and Limitations
  作者：Daniel Can、Harmel W. Peindy N'Dongo、Bernhard Spingler、Paul Schmutz、Paula Raposinho、Isabel Santos、Roger Alberto

  DOI：10.1002/cbdv.201200076

  日期：2012.9

  not following this labeling strategy. Adopting the principle of replacing phenyl rings by [Re(CO)3(Cp)] entities, potent histone deacetylase (HDAC)‐inhibiting Re analogs of suberoylanlilide hydroxamic acid (SAHA; N‐hydroxy‐N′‐phenyloctanediamide) were synthesized and characterized. Cytotoxic evaluation on different tumor cell lines revealed low IC50 values [μM] for these compounds, comparable to their

  从不对称蒂勒酸衍生物开始，两种不同的成像探针 [99mTc(CO)3(CpR)]（R=潜在靶向载体）在一锅中从一种底物同时产生。这扩展了先前引入的金属介导的 Retro-DielsAlder 与 HCp-R 二聚体反应的标记策略。我们证明化学活性官能团如异羟肟酸不遵循这种标记策略。采用[Re(CO)3(Cp)]实体取代苯环的原理，合成并表征了强效的组蛋白脱乙酰酶（HDAC）抑制性辛二酰苯胺异羟肟酸（SAHA；N-羟基-N'-苯基辛二酰胺）的Re类似物. 对不同肿瘤细胞系的细胞毒性评估显示，这些化合物的 IC50 值较低 [μM]，与其纯有机同源物相当。
• Amino sugar derivatives
  申请人：Daiichi Pharmaceutical Co., Ltd.

  公开号：US05432267A1

  公开（公告）日：1995-07-11

  A compound represented by formula (I): ##STR1## wherein R.sup.1 represents --CO--Z.sup.1 --N(Z.sup.11)--CO--Z.sup.2 --H or --CO--Z.sup.3 --H, wherein Z.sup.1, Z.sup.2, and Z.sup.3 each represent an alkylene group having from 1 to 20 carbon atoms, a phenylene group, or a combination thereof, and Z.sup.11 represents a hydrogen atom, an alkyl group having from 1 to 20 carbon atoms which may be substituted with a phenyl group, a phenyl group which may be substituted with an alkyl group having from 1 to 20 carbon atoms, or an alkylene group having from 1 to 20 carbon atoms which may contain therein a phenylene group; R.sup.2 represents --CO--Z.sup.4 --N(Z.sup.12)--CO--Z.sup.5 --H, --CO--Z.sup.6 --H or a hydrogen atom, wherein Z.sup.4, Z.sup.5, and Z.sup.6 each have the same meaning as Z.sup.1, and Z.sup.12 has the same meaning as Z.sup.11 ; Q.sup.1 and Q.sup.2 each represent a carboxyl group or a phosphonoxy group; Q.sup.3 represents a hydrogen atom, a carboxyl group or a phosphonoxy group; m represents 0 or an integer of from 1 to 20; n represents 0 or an integer of from 1 to 20; Y.sup.1 represents an alkylene group having from 1 to 10 carbon atoms which may contain one or more substituents selected from --OCOR.sup.11 and --NHCOR.sup.12, wherein R.sup.11 represents --Z.sup.13 or --Z.sup.7 --N (Z.sup.14)--CO--Z.sup.8 --H (wherein Z.sup.7 and Z.sup.8 each have the same meaning as Z.sup.1, and Z.sup.13 and Z.sup.14 each have the same meaning as Z.sup.11) and R.sup.12 represents --Z.sup.15 or --Z.sup.9 --N(Z.sup.16)--CO--Z.sup.10 --H (wherein Z.sup.9 and Z.sup.10 each have the same meaning as Z.sup.1, and Z.sup.15 and Z.sup.16 each have the same meaning as Z.sup.11), and a salt thereof. The compound inhibits TNF derivation by endotoxin and is therefore useful for the treatment of multiorganic insufficiencies.

  一种由化学式（I）表示的化合物：##STR1## 其中R.sup.1代表--CO--Z.sup.1--N(Z.sup.11)--CO--Z.sup.2--H或--CO--Z.sup.3--H，其中Z.sup.1、Z.sup.2和Z.sup.3分别代表具有1至20个碳原子的烷基基团、苯基团或它们的组合，Z.sup.11代表氢原子、具有1至20个碳原子的烷基基团，可被苯基取代，可被具有1至20个碳原子的烷基基团取代的苯基团，或者具有1至20个碳原子的烷基基团，其中可能含有苯基团；R.sup.2代表--CO--Z.sup.4--N(Z.sup.12)--CO--Z.sup.5--H，--CO--Z.sup.6--H或氢原子，其中Z.sup.4、Z.sup.5和Z.sup.6的含义与Z.sup.1相同，Z.sup.12的含义与Z.sup.11相同；Q.sup.1和Q.sup.2分别代表羧基或膦氧基；Q.sup.3代表氢原子、羧基或膦氧基；m代表0或1至20的整数；n代表0或1至20的整数；Y.sup.1代表具有1至10个碳原子的烷基基团，可能含有一个或多个取代基，选自--OCOR.sup.11和--NHCOR.sup.12，其中R.sup.11代表--Z.sup.13或--Z.sup.7--N(Z.sup.14)--CO--Z.sup.8--H（其中Z.sup.7和Z.sup.8的含义与Z.sup.1相同，Z.sup.13和Z.sup.14的含义与Z.sup.11相同）和R.sup.12代表--Z.sup.15或--Z.sup.9--N(Z.sup.16)--CO--Z.sup.10--H（其中Z.sup.9和Z.sup.10的含义与Z.sup.1相同，Z.sup.15和Z.sup.16的含义与Z.sup.11相同），以及其盐。该化合物通过内毒素抑制TNF的衍生，因此对于治疗多器官功能不全是有用的。
• COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS
  申请人：Sarubbi Donald J.

  公开号：US20090324540A1

  公开（公告）日：2009-12-31

  Carrier compounds and compositions therewith which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  本发明提供了用于传递活性剂的载体化合物和组合物。同时还提供了其治疗方法和制备方法。
• Method for administering GLP-1 molecules
  申请人：Emisphere Technologies, Inc.

  公开号：EP2409569A2

  公开（公告）日：2012-01-25

  The invention encompasses formulations that demonstrate the feasibility of oral absorption comprising GLP-1 compounds and specified delivery agents.

  本发明包括能证明口服吸收 GLP-1 化合物和特定给药剂可行性的制剂。
• FAST-ACTING PLANT-BASED MEDICINAL COMPOUNDS AND NUTRITIONAL SUPPLEMENTS
  申请人：Receptor Holdings, Inc.

  公开号：EP3928776A1

  公开（公告）日：2021-12-29

  Plant-based medicinal compounds or nutritional supplements in various carrier combinations are described. The carriers can include N-acylated fatty amino acids, penetration enhancers, and/or various other beneficial carriers. The plant-based composition/carrier combinations can create administration benefits.

  本文介绍了各种载体组合中的植物药用化合物或营养补充剂。载体可包括 N-酰化脂肪氨基酸、渗透促进剂和/或其他各种有益载体。植物性组合物/载体组合可带来用药益处。