3-氨基-2-苯基丙酸乙酯盐酸盐 | 29753-99-9

• 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
• 中文名称: 3-氨基-2-苯基丙酸乙酯盐酸盐
• 中文别名: 3-氨基-2-苯基丙酸盐酸盐乙酯
• 英文名称: ethyl 3-amino-2-phenylpropanoate hydrochloride
• 英文别名: (3-Ethoxy-3-oxo-2-phenylpropyl)azanium;chloride
• CAS: 29753-99-9
• 化学式: C₁₁H₁₅NO₂*ClH
• mdl: MFCD00267564
• 分子量: 229.707
• InChiKey: NNJRPZZMNBNRFJ-UHFFFAOYSA-N

物化性质

• 熔点：
  165 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  3-氨基-2-苯基丙酸乙酯盐酸盐 在 lithium hydroxide 、 1-羟基苯并三唑一水物 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 67.0h， 生成 (R)-propanoic acid 3-<<3-<<3-(1H-indol-3-yl)-2-methyl-1-oxo-2-<<(tricyclo<3.3.1.1^3,7>dec-2-yloxy)carbonyl>amino>propyl>amino>-1-oxo-2-phenylpropyl>amino>phenylmethyl ester
  参考文献：
  名称：

  Rationally designed ‘dipeptoid’ analogues of cholecystokinin (CCK): C-terminal structure-activity relationships of α-methyl tryptophan derivatives

  摘要：

  This paper outlines the synthesis and C-terminal structure-activity relationships (SAR) of a series of alpha-methyl tryptophanylphenethylamide analogues of the neuropeptide cholecystokinin (CCK). CCK-B and CCK-A receptor binding affinities of these analogues are described and the contributions of the various side chains on the phenethylamide moiety to binding affinity are discussed. Several of the compounds prepared have CCK-B receptor binding affinities similar to that found with the endogenous neuropeptide CCK-26-33 (sulphated) (CCK-B, IC50 = 0.3 nM) and are highly selective over the CCK-A receptor. Amongst the most potent of the compounds synthesized are [R-(R*,S*)]-beta-4[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.1(3,7)]dec-2-yloxy)carbonyl]-amino]propyl]amino]benzenebutanoic acid 22, [R-(R*,S*)]-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.1(3,7)]dec-2-yloxy)carbonyl]amino]propyl]amino]-3-phenylpropyl] thio]acetic acid 28a and [R-(R*,S*)]-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.1(3,7)]dec-2-yloxy)carbonyl]amino]propyl]amino]-3-phenylpropyl]sulfonyl]acetic acid 32 which have CCK-B receptor binding affinities of IC50 = 0.3, 0.3 and 0.2 nM with CCK-A/B ratios of 220, 700 and 1000, respectively. CCK-B receptor selective ligands, 22, 28a and 32 were also shown to be potent antagonists in blocking pentagastrin-evoked excitation in neurons of the rat hypothalamic ventro-medial nucleus (VMN) with the K(e) values of 2.8, 23 and 5.9 nM, respectively.

  DOI：

  10.1016/0223-5234(93)90078-s
• 作为产物：
  描述：

  (ethoxycarbonyl)(cyano)(phenyl)methyl dimethyl phosphate 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以0.81 g的产率得到3-氨基-2-苯基丙酸乙酯盐酸盐
  参考文献：
  名称：

  Cyanide Ion Promoted Addition of Acyl Phosphonates to Ethyl Cyanoformate:  Synthesis of Tertiary Carbinols via Tandem Carbon−Carbon Bond Formations

  摘要：

  [GRAPHICS]New cyanation/phosphonate -phosphate rearrangement/Cacylation reactions of cyartophosphate anion with cyanoformate esters are described. Phase-transfer cocatalysts facilitate cyanide-catalyzed reactions between acyl phosphonates and cyanoformates to afford protected tertiary carbinol products in good to excellent yields (74-95%). Ethyl cyanoformate is used as a cyanide source and electrophile. The scope of the reaction was investigated by using a number of benzoyl and acyl phosphonates along with ethyl cyanoformate. Representative chemoselective reduction of the product 5a afforded ethyl 3-amino-2- iydroxy-2-phenylpropanoate (13) in good yield.

  DOI：

  10.1021/jo0710073

文献信息

• [EN] FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY<br/>[FR] DÉRIVÉS DE [1,2,4]THIADIAZINE FUSIONNÉS AGISSANT EN TANT QU'INHIBITEURS DE KAT DE LA FAMILLE DES MYST
  申请人：CTXT PTY LTD

  公开号：WO2019043139A1

  公开（公告）日：2019-03-07

  A compound of formula (I): which inhibits the activity of one or more KATs of the MYST family, i.e., TIP60, KAT6B, MOZ, HBO1 and MOF.

  一种化合物的化学式（I）：抑制MYST家族中一个或多个KATs的活性，即TIP60、KAT6B、MOZ、HBO1和MOF。
• [EN] PYRIMIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS<br/>[FR] DERIVES DE PYRIMIDYLPYRROLE POUVANT ETRE UTILISES COMME INHIBITEURS DE KINASES
  申请人：PHARMACIA & ITALIA S P A

  公开号：WO2005014572A1

  公开（公告）日：2005-02-17

  Pyrimidylpyrrole derivatives of formula (1) and pharmaceutically acceptable salts thereof, as defined in the specification, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  公开了公式（1）的吡啶基吡咯衍生物及其药用可接受的盐，如规范中定义的，其制备方法和包括它们的药物组合物；发明的化合物可能在治疗中对治疗与蛋白激酶活性失调相关的疾病，如癌症，具有用处。
• [EN] PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS<br/>[FR] DERIVES DE PYRIDYLPYRROLE COMME INHIBITEURS DE KINASE
  申请人：PHARMACIA ITALIA SPA

  公开号：WO2005013986A1

  公开（公告）日：2005-02-17

  Pyridylpyrrole derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  公开了化合物的化学式(I)及其药学上可接受的盐，如规范中定义的，以及包含它们的药物组合物；本发明的化合物可能在治疗中对与蛋白激酶活性失调相关的疾病，如癌症，具有用处。
• Mercapto-acylamino acids
  申请人：Schering Corporation

  公开号：US05219886A1

  公开（公告）日：1993-06-15

  Novel mercapto-acylamino acids of the formula ##STR1## wherein Q is hydrogen or R.sup.7 CO--; R.sup.1 is lower alkyl, cyclolower alkyl, aryl or heteroaryl; R.sup.2 is hydrogen; lower alkyl; cyclolower alkyl; lower alkyl substituted with hydroxy, lower alkoxy, mercapto, lower alkylthio, aryl or heteroaryl; aryl; or heteroaryl; R.sup.3 is --OR.sup.5 or --NR.sup.5 R.sup.6 ; R.sup.4 and R.sup.9 are independently --(CH.sub.2).sub.q R.sup.8, provided that when R.sup.4 and R.sup.9 are both hydrogen, R.sup.2 is biphenylyl, phenoxyphenyl, phenylthiophenyl, naphthyl, heteroaryl, or lower alkyl substituted with hydroxy, lower alkoxy, mercapto or lower alkylthio; R.sup.5 and R.sup.6 are independently selected from the group consisting of hydrogen, lower alkyl, hydroxy lower alkyl, lower alkoxy lower alkyl and aryl lower alkyl, or R.sup.5 and R.sup.6 together with the nitrogen to which they are attached form a 5-7 membered ring; R.sup.7 is hydrogen, lower alkyl or aryl; R.sup.8 is hydrogen, hydroxy, lower alkoxy, mercapto, lower alkylthio, aryl or heteroaryl; n is 1 or 2; p is 0 or 1; q is 0, 1 or 2; and t is 0 or 1; and the pharmaceutically acceptable salts thereof useful in the treatment of cardiovascular disorders and pain conditions and combinations of mercapto-acrylamino acids and atrial natriuretic factors or angiotensin converting enzyme inhibitors useful for treating cardiovascular disorders are disclosed.

  公开了一种化合物，其化学式为##STR1##其中Q是氢或R.sup.7 CO-; R.sup.1是较低的烷基，环较低的烷基，芳基或杂环芳基; R.sup.2是氢; 较低的烷基; 环较低的烷基; 被氢氧基，较低的烷氧基，巯基，较低的烷硫基，芳基或杂环芳基取代的较低的烷基; 芳基; 或杂环芳基; R.sup.3是--OR.sup.5或--NR.sup.5 R.sup.6; R.sup.4和R.sup.9分别独立地为--(CH.sub.2).sub.q R.sup.8，但当R.sup.4和R.sup.9都是氢时，R.sup.2是联苯基，苯氧基苯基，苯基硫苯基，萘基，杂环芳基或被氢氧基，较低的烷氧基，巯基或较低的烷硫基取代的较低的烷基; R.sup.5和R.sup.6独立地选自由氢，较低的烷基，羟基较低的烷基，较低的烷氧基较低的烷基和芳基较低的烷基，或R.sup.5和R.sup.6与它们连接的氮一起形成5-7成员环; R.sup.7是氢，较低的烷基或芳基; R.sup.8是氢，羟基，较低的烷氧基，巯基，较低的烷硫基，芳基或杂环芳基; n为1或2; p为0或1; q为0,1或2; t为0或1;以及在心血管疾病和疼痛症状的治疗中有用的其药物可接受的盐，以及用于治疗心血管疾病的巯基丙烯酰胺氨基酸和心房利钠肽因子或血管紧张素转化酶抑制剂的组合物。
• Pyrimidylpyrrole derivatives active as kinase inhibitors
  申请人：Vanotti Ermes

  公开号：US20050043323A1

  公开（公告）日：2005-02-24

  Pyrimidylpyrrole derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明公开了式（I）的吡啶基吡咯衍生物及其药学上可接受的盐，以及其制备方法和包含它们的制药组合物；本发明的化合物在治疗与蛋白激酶活性失调相关的疾病，如癌症方面可能有用。