dimethyl 2,6-diaminoheptanedioate dihydrochloride | 4242-92-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dimethyl 2,6-diaminoheptanedioate dihydrochloride
• 英文别名: 2,6-diaminoheptanedioic acid, dimethyl ester, dihydrochloride；1,7-dimethoxy-1,7-dioxoheptane-2,6-diaminium dichloride；Dimethyl 2,6-diaminoheptanedioate;hydrochloride；dimethyl 2,6-diaminoheptanedioate;hydrochloride
• CAS: 4242-92-6；20714-80-1；20714-86-7；85106-92-9
• 化学式: C₉H₁₈N₂O₄*2ClH
• 分子量: 291.175
• InChiKey: NNDNDTMBVWQJTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.42
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl 2,6-diaminoheptanedioate dihydrochloride 在 sodium methylate 、 sodium hydride 作用下， 以 正丁醇 为溶剂， 反应 41.0h， 生成 6,8-dibenzyl-6,8-diazabicyclo<3,2,2>nonane-7,9-dione
  参考文献：
  名称：

  Eastwood, Frank W.; Gunawardana, Dionne; Wernert, Gregory T., Australian Journal of Chemistry, 1982, vol. 35, # 11, p. 2289 - 2298

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-diaminopimelic acid 在 氯化亚砜 作用下， 以 甲醇 为溶剂， 生成 dimethyl 2,6-diaminoheptanedioate dihydrochloride
  参考文献：
  名称：

  1,8-Naphthyridines and their use as antibacterial agents

  摘要：

  描述了具有桥接侧链的新奎诺啉、萘啉和苯并噁嗪羧酸衍生物，可用作抗菌剂。还描述了它们的制备、配方和在治疗细菌感染中的用途的方法。

  公开号：

  US04923879A1

文献信息

• 1,8-Naphthyridines and their use as antibacterial agents
  申请人：Warner-Lambert Company

  公开号：US04923879A1

  公开（公告）日：1990-05-08

  Novel quinoline-, naphthyridine-, and benzoxazine-carboxylic acid derivatives with bridged sidechains useful as antibacterial agents are described. Methods for their preparation, formulation, and use in treatment of bacterial infections is also described.

  描述了具有桥接侧链的新奎诺啉、萘啉和苯并噁嗪羧酸衍生物，可用作抗菌剂。还描述了它们的制备、配方和在治疗细菌感染中的用途的方法。
• [EN] HIV PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2009042093A1

  公开（公告）日：2009-04-02

  Compounds of Formula I are disclosed: (I), wherein XA, k, R1, R2, R3, R4, R5, R5A, R6, R6A, R7 and R8 are defined herein. The compounds encompassed by Formula I include compounds which are HIV protease inhibitors and other compounds which can be metabolized in vivo to HIV protease inhibitors. The compounds and their pharmaceutically acceptable salts are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  已披露的I式化合物：(I)，其中XA、k、R1、R2、R3、R4、R5、R5A、R6、R6A、R7和R8在此定义。公式I所包括的化合物包括HIV蛋白酶抑制剂和其他可在体内代谢为HIV蛋白酶抑制剂的化合物。这些化合物及其药用盐可用于预防或治疗HIV感染以及预防、治疗或延缓艾滋病的发作。这些化合物及其盐可用作药物组成部分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0304087A2

  公开（公告）日：1989-02-22

  Novel quinolone and naphthyridine antibacterial agents of the formula I are herein described having improved in vivo activity both orally and subcutaneously where the 7-side chain of such compounds contain an a-amino acid; also described are its corresponding optical isomers, methods of preparation as well as pharmaceutical useful intreating infectious diseases.

  本文描述了式 I 的新型喹诺酮类和萘啶类抗菌剂，其口服和皮下注射活性均有所提高。 所述的新型喹诺酮类和萘啶类抗菌剂具有更好的口服和皮下注射活性，其中此类化合物的 7 侧链含有 a-氨基酸；还描述了其相应的光学异构体、制备方法以及治疗传染性疾病的药物用途。
• Quinoline, naphthyridine and benzoxazine-carboxylic acid derivatives and their use as antibacterial agents
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0305744A2

  公开（公告）日：1989-03-08

  Novel quinoline-, naphthyridine-, and benzoxazine-carboxylic acid derivatives of formula I with bridged sidechains, Z=(a)-(e), useful as antibacterial agents are described. Methods for their preparation, formulation, and use in treatment of bacterial infections is also described.

  新型喹啉、萘啶和苯并噁嗪羧酸衍生物式 I 的新型喹啉-萘啶-和苯并噁嗪-羧酸衍生物，它们具有桥接侧链 Z=(a)-(e)，可用作抗菌剂。还描述了它们的制备、配制和用于治疗细菌感染的方法。
• Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors
  作者：Kristen L.G. Jones、M. Katharine Holloway、Hua-Poo Su、Steven S. Carroll、Christine Burlein、Sinoeun Touch、Daniel J. DiStefano、Rosa I. Sanchez、Theresa M. Williams、Joseph P. Vacca、Craig A. Coburn

  DOI：10.1016/j.bmcl.2010.05.082

  日期：2010.7

  A series of HIV-1 protease inhibitors containing an epsilon substituted lysinol backbone was synthesized. Two novel synthetic routes using N-boc-L-glutamic acid alpha-benzyl ester and 2,6-diaminopimelic acid were developed. Incorporation of this epsilon substituent enabled access to the S2 pocket of the enzyme, affording high potency inhibitors. Modeling studies and synthetic efforts suggest the potency increase is due to both conformational bias and van der Waals interactions with the S2 pocket.