2-amino-3,3-diethoxypropanoic acid | 51579-13-6

• 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: 2-amino-3,3-diethoxypropanoic acid
• 英文别名: 3,3-diethoxy-2-amino-propionic acid；3,3-Diaethoxy-2-amino-propionsaeure；Serinaldehyd-diaethylacetal；3.3-Diaethoxy-alanin；(+/-)-2-Amino-3.3-diaethoxy-propionsaeure
• CAS: 51579-13-6
• 化学式: C₇H₁₅NO₄
• 分子量: 177.2
• InChiKey: SMOZTBWWVOUSOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-3,3-diethoxypropanoic acid 在 氢氧化钾 、 乙酸酐 作用下， 生成 2-benzylsulfanyl-4-ethoxymethylene-4H-thiazol-5-one
  参考文献：
  名称：

  Cook et al., Journal of the Chemical Society, 1948, p. 1056,1060

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3-二乙氧基-2-氯-丙酸 在 乙醇 、 氨 作用下， 生成 2-amino-3,3-diethoxypropanoic acid
  参考文献：
  名称：

  Brown, Chemistry of Penicillin

  摘要：

  DOI：

文献信息

• [EN] CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS MACROCYCLIQUES ENTIÈREMENT SYNTHÉTIQUES, À CONFORMATION CONTRAINTE
  申请人：POLYPHOR AG

  公开号：WO2011015241A1

  公开（公告）日：2011-02-10

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of type (I) are constituted by three distinct building blocks: an aromatic template a, a conformation modulator b and a spacer moiety c as detailed in the description and the claims. Macrocycles of type (I) are readily manufactured by parallel synthesis or combinatorial chemistry. They are designed to interact with specific biological targets. In particular, they show agonistic or antagonistic activity on the motilin receptor (MR receptor), on the serotonin receptor of subtype 5-HT2B (5-HT2B receptor), and on the prostaglandin F2 • receptor (FP receptor). They are thus potentially useful for the treatment of hypomotility disorders of the gastrointestinal tract such as diabetic gastroparesis and constipation type irritable bowl syndrome; of CNS related diseases like migraine, schizophrenia, psychosis or depression; of ocular hypertension such as associated with glaucoma and preterm labour.

  构象受限、空间定义的12-30元大环环系统(I型)由三个不同的构建模块组成：芳香模板a、构象调节剂b和间隔基团c，详细描述在说明书和专利要求中。I型大环可通过并行合成或组合化学方法轻松制备。它们设计用于与特定生物靶点相互作用。特别是，它们在胃动素受体(MR受体)、5-羟色胺受体亚型5-HT2B(5-HT2B受体)和前列腺素F2•受体(FP受体)上显示激动或拮抗活性。因此，它们潜在用于治疗胃肠道低动力障碍，如糖尿病性胃轻瘫和便秘型肠易激综合征；中枢神经系统相关疾病，如偏头痛、精神分裂症、精神病或抑郁症；眼压增高，如青光眼和早产。
• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：Obrecht Daniel

  公开号：US20120270881A1

  公开（公告）日：2012-10-25

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of formulae Ia and Ib are constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. These macrocycles Ia and Ib are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being the agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), ion channels and signal transduction pathways. In particular, these macrocycles act as antagonists of the motilin receptor, the FP receptor and the purinergic receptors P2Y 1 , as modulators of the serotonin receptor of subtype 5-HT 2B , as blockers of the voltage-gated potassium channel K v 1.3 and as inhibitors of the β-catenin-dependent “canonical” Wnt pathway. Thus they are showing great potential as medicaments for a variety of diseases.

  具有结构限制的、空间定义的12-30环的大环系统Ia和Ib由三个不同的分子部分构成：模板A、构象调节剂B和桥C。这些大环Ia和Ib可以通过并行合成或溶液中或固相上的组合化学来轻松制备。它们被设计用于与各种特定的生物靶标类相互作用，例如对G蛋白偶联受体（GPCRs）、离子通道和信号转导途径的激动或拮抗活性。特别地，这些大环作为莫蒂林受体的拮抗剂、FP受体和嘌呤受体P2Y1的调节剂、5-HT2B亚型的5-羟色胺受体的调节剂、电压门控钾通道Kv1.3的阻断剂以及β-连环蛋白依赖的“经典”Wnt途径的抑制剂。因此，它们显示出作为各种疾病药物的巨大潜力。
• Inhibitors of hepatitis C virus NS3 protease
  申请人：——

  公开号：US20020065248A1

  公开（公告）日：2002-05-30

  The present invention relates to compounds of Formula (I): 1 wherein A 1 is methylene, ethylene or propylene group and A 2 is N or CR 5 , or stereoisomeric forms, stereoisomeric mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HCV NS3 protease, and to pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent.

  本发明涉及化合物的结构公式（I）：其中A1为亚甲基、乙烯基或丙烯基，A2为N或CR5，或其立体异构体形式、立体异构体混合物或药用盐形式，用作HCV NS3蛋白酶的抑制剂，以及包含相同化合物的药物组合物和诊断试剂盒，以及用于治疗病毒感染或作为测定标准或试剂的方法。
• Chemical studies of potential relevance to penicillin hypersensitivity. The synthesis of dl-2-phenoxymethylpenicillenic acid and of dl-2-(2,6-dimethoxyphenyl)penicillenic acid
  作者：Kenneth H. Dudley、Daniel L. Bius、Dorothy Johnson

  DOI：10.1002/jhet.5570100609

  日期：1973.12

  melhylpenicillenic acid (14) and of DL-2-(2, 6-dimethoxyphenyl)penicillenic acid (21) have been synthesized by the reaction of DL-penicillamine with 2 phenoxymethyl-4-(methoxymethylene)oxazol-5-one and 2-(2, 6-dimethoxyphenyl)-4-(ethoxymethylene)oxazol-5-one, respectively. These key oxazol-5-one intermediates were synthesized by azlactonization of the appropriately substituted penaldic acid dialkyl acetals

  DL-2-苯氧基melhylpenicillenic酸（的晶体样品14）和DL -2-（2，6-二甲氧基苯基）penicillenic酸（21）已经由反应合成DL青霉胺与2-苯氧基甲基-4-（甲氧基亚甲基）恶唑-5-酮和2-（2,6-二二甲氧基苯基）-4-（乙氧基亚甲基）恶唑-5-酮。这些关键的恶唑-5-酮中间体是通过适当取代的戊二酸二烷基乙缩醛的壬二酸化反应合成的。研究了氯化汞（II）与D-苯氧基甲基青霉素的反应，发现不适用于D-14的合成。结晶DL的比较-和分别通过“恶唑酮”和“氯化汞（11）”方法制备的无定形D-2-（2,6-二甲氧基苯基）青霉烯酸（21）表明，其纯度明显提高。DL-材料。
• Peptide inhibitors of hepatitis C virus NS3 protein
  申请人：——

  公开号：US20020177725A1

  公开（公告）日：2002-11-28

  This invention relates to a novel class of peptides having the Formula (I): 1 Which are useful as serine protease inhibitors, and more particularly as Hepatitis C virus(HCV) NS3 protease inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same in the treatment of HCV infection.

  本发明涉及一类新型肽的公式(I)：1，其作为丝氨酸蛋白酶抑制剂具有用途，更具体地作为丙型肝炎病毒（HCV）NS3蛋白酶抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗HCV感染的方法。