Alagebrium | 393121-34-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Alagebrium
• 英文别名: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone
• CAS: 393121-34-1
• 化学式: C13H14NOS+
• 分子量: 232.32
• InChiKey: LYLFQLCLUXOFOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Crosslink Breakers for Preservation of Biological Substances
  申请人：Spiegel David

  公开号：US20150099260A1

  公开（公告）日：2015-04-09

  A preservative for body fluids, proteins, cells and tissues comprising an effective amount of an AGE crosslink breaker for preventing formation of advanced glycation end products. The AGE crosslink breaker comprises a compound of Structure (1): wherein V, W, X, Y and Z are any atom suitable for a heterocyclic carbene or carbene precursor framework, including B, C, O, N, S, Se, P, and As in any chemically-feasible oxidation state; wherein Q, R, M, T and U are any atom or substituent, including but not limited to, H, CL n , NL n , PL n , OL n , SL n , SeL n , L n Cl, L n Br, L n I, wherein L is any atom, substituent or group, and n is any integer such that Q, R, M, T, and U can access all chemically-feasible oxidation states; and wherein G comprises any charged counter ion including, but not limited to those derived from C, O, N, B, Al, S, Se, Cl, Br, I in any chemically-feasible oxidation state.

  一种用于体液、蛋白质、细胞和组织的防腐剂，包括一种有效量的AGE交联断裂剂，用于预防高级糖基化终产物的形成。AGE交联断裂剂包括结构（1）中的化合物： 其中V、W、X、Y和Z是适用于杂环卡宾或卡宾前体框架的任何原子，包括B、C、O、N、S、Se、P和As在任何化学上可行的氧化态； 其中Q、R、M、T和U是任何原子或取代基，包括但不限于H、CLn、NLn、PLn、OLn、SLn、SeLn、LnCl、LnBr、LnI，其中L是任何原子、取代基或基团，n是任何整数，使得Q、R、M、T和U可以访问所有化学上可行的氧化态；以及 其中G包括任何带电的对离子，包括但不限于那些来源于C、O、N、B、Al、S、Se、Cl、Br、I在任何化学上可行的氧化态。
• Method for treating fibrotic diseases or other indications IC
  申请人：Alteon, Inc.

  公开号：US20020068729A1

  公开（公告）日：2002-06-06

  Provided, among other things, is a method of treating or ameliorating or preventing an indication of the invention in an animal, including a human comprising administering an effective amount of a compound of the formula I: 1

  提供了一种处理、改善或预防动物包括人类发明的指示的方法，包括给予公式I的化合物的有效量：1
• Method for treating fibrotic diseases or other indications with imidazolium agents
  申请人：Alteon, Inc.

  公开号：US20030176426A1

  公开（公告）日：2003-09-18

  Provided is a method of treating or ameliorating an indication of the invention in an animal, including a human, by administering an effective amount of a compound of the formula I: 1 wherein R 1 , R 2 , M, X and Z are as described supra. Also provided are certain imidazolium compounds and pharmaceutical compositions containing the imidazolium compounds.

  提供了一种治疗或改善动物（包括人类）发明的征兆的方法，通过给予公式I的有效量的化合物： 1 其中R 1 ，R 2 ，M，X和Z如上所述。还提供了一些咪唑啉化合物和包含咪唑啉化合物的药物组合物。
• Method for treating fibrotic diseases or other indications IIIC
  申请人：——

  公开号：US20020183365A1

  公开（公告）日：2002-12-05

  Provided is a method of treating or ameliorating certain fibrotic diseases or other indications in an animal, including a human, comprising administering an effective amount of a compound of the formula I: Y—Ar⊕·X — wherein: a. Ar is a five or six membered heteroaryl ring having a first ring nitrogen and optionally second or third ring nitrogens, with the remaining ring atoms being carbon, oxygen, or sulfur, provided the first nitrogen of Ar is a quaternary nitrogen and Ar is not thiazolium, oxazolium or imidazolium; b. Y is substituted on the first ring nitrogen, with the proviso that if Ar is pyrazole, indazole, (1,2,3)-triazole, benzotriazole, or (1,2,4)-triazole, the second ring nitrogen is substituted C. Y is: 1 . a group of the formula —CH(R 5 )—R 6 [as preferred in one embodiment] (a) wherein R 5 is hydrogen, alkyl, cycloalkyl-, alkenyl-, alkynyl-, aminoalkyl-, hydroxy[C 1 to C 6 ]alkyl, dialkylaminoalkyl-, (N-[C 6 or C 10 ]aryl)(N-alkyl)aminoalkyl-, piperidin-1-ylalkyl-, pyrrolidin-1-ylalkyl, azetidinylalkyl, 4-alkylpiperazin-1-ylalkyl, 4-alkylpiperidin-1-ylalkyl, 4-[C 6 or C 10 ]arylpiperazin-1-ylalkyl, 4-[C 6 or C 10 ]arylpiperidin-1-ylalkyl, azetidin-1-ylalkyl, morpholin-4-ylallcyl, thiomorpholin-4-ylalkyl, piperazin-1-ylalkyl, piperidin-1-ylalkyl, [C 6 or C 10 ]aryl, or independently the same as R 6 ; (b) wherein R 6 is (1) hydrogen, alkyl (which may be substituted by alkoxycarbonyl)-, alkenyl, alkynyl, cyano-, cyanoalkyl-, or Rs, wherein Rs is a [C 6 or C 10 ]aryl or a heterocycle containing 4-10 ring atoms of which 1-3 are heteroatoms selected from the group consisting of oxygen, nitrogen and sulfur; or (2) a group of the formula —W—R 7 [as preferred in one embodiment], wherein R 7 is alkyl, alkoxy, hydroxy, or Rs [as preferred in one embodiment], wherein W is —C(═O)— or —S(O) 2 —; (3) a group of the formula —W—OR 8 wherein R 8 is hydrogen or alkyl, (4) a group of the formula —CH(OH)Rs; or (5) a group of the formula —W—N(R 9 )R 10 , wherein (a) R 9 is hydrogen and R 10 is an alkyl or cycloalkyl, optionally substituted; or (b) R 9 is hydrogen or alkyl and R 10 is Ar; or (c) R 9 is hydrogen or alkyl, R 10 is a heterocycle containing 4-10 ring atoms of which 1-3 are heteroatoms are selected from the group consisting of oxygen, nitrogen and sulfur; or (d) R 9 and R 10 are both alkyl groups; or (e) R 9 and R 10 together with N form a heterocycle containing 4-10 ring atoms which can incorporate up to one additional heteroatom selected from the group of N, O or S in the ring, wherein the heterocycle is optionally substituted; or (f) R 9 and R 10 are both hydrogen; or 2 . —NH 2 , and e. X is a pharmaceutically acceptable anion, which may be absent if the compound provides a neutralizing salt, or (B) a pharmaceutically acceptable salt of the compound.

  提供一种治疗或改善动物中的某些纤维化疾病或其他适应症的方法，包括人类，包括给予化合物I的有效量：Y—Ar⊕·X—其中：a. Ar是一个具有第一个环氮原子和可选择第二或第三环氮原子的五元或六元杂环芳基环，其余环原子为碳、氧或硫，前提是Ar的第一个氮原子是季铵氮，且Ar不是噻唑、噁唑或咪唑；b. Y取代在第一个环氮原子上，但前提是如果Ar是吡唑、吲唑、(1,2,3)-三唑、苯并三唑或(1,2,4)-三唑，则第二环氮原子被取代；c. Y是：1. 公式为—CH(R5)—R6[在一个实施例中优选]的基团(a)其中R5是氢、烷基、环烷基、烯基、炔基、氨基烷基、羟基[C1到C6]烷基、二烷基氨基烷基、(N-[C6或C10]芳基)(N-烷基)氨基烷基、哌啶-1-基烷基、吡咯啉-1-基烷基、氮杂环烷基、4-烷基哌嗪-1-基烷基、4-烷基哌啶-1-基烷基、4-[C6或C10]芳基哌嗪-1-基烷基、4-[C6或C10]芳基哌啶-1-基烷基、氮杂环烷基、吗啉-4-基烷基、硫代吗啉-4-基烷基、哌嗪-1-基烷基、哌啶-1-基烷基、[C6或C10]芳基，或独立地与R6相同；(b)其中R6是(1)氢、烷基(可由烷氧羰基取代)-、烯基、炔基、氰基、氰基烷基、或Rs，其中Rs是一个[C6或C10]芳基或含有1-3个杂原子（氧、氮和硫）的4-10个环原子的杂环；或(2) 公式为—W—R7[在一个实施例中优选]，其中R7是烷基、烷氧基、羟基或Rs [在一个实施例中优选]，其中W是—C(═O)—或—S(O)2—；(3) 公式为—W—OR8，其中R8是氢或烷基，(4) 公式为—CH(OH)Rs；或(5) 公式为—W—N(R9)R10，其中(a) R9是氢，R10是烷基或环烷基，可选择取代；或(b) R9是氢或烷基，R10是Ar；或(c) R9是氢或烷基，R10是含有1-3个杂原子（氧、氮和硫）的4-10个环原子的杂环；或(d) R9和R10都是烷基基团；或(e) R9和R10连同N形成含有4-10个环原子的杂环，该环可在环中包含最多一个额外的来自N、O或S的杂原子，该杂环可选择取代；或(f) R9和R10都是氢；或2. —NH2，e. X是一种药用可接受的阴离子，如果化合物提供中和盐，则可能不存在，或(B) 化合物的药用可接受的盐。
• Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet
  申请人：Thomas Merlin

  公开号：US20090088461A1

  公开（公告）日：2009-04-02

  The present invention relates to a method of treating or preventing cardiac disorders, myocardial inflammation or myocardial oxidative stress associated with a high fat diet or in a patient subjected to a high fat diet using the thiazolium compounds and compositions of the invention. The present invention also relates to a method of ameliorating weight gain, myocardial AGE accumulation associated, mitochondrial superoxide production, RAGE expression or PPARα expression with a high fat diet or in a patient subjected to a high fat diet using the thiazolium compounds and compositions of the invention.

  本发明涉及一种使用该发明的噻唑类化合物和组合物治疗或预防与高脂饮食相关的心脏疾病、心肌炎症或心肌氧化应激的方法。本发明还涉及一种使用该发明的噻唑类化合物和组合物改善与高脂饮食相关的体重增加、心肌AGE积累、线粒体超氧化物产生、RAGE表达或PPARα表达的方法。