Methylhydrogen-α-methylglutarat | 33514-23-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Methylhydrogen-α-methylglutarat
• 英文别名: (4S)-5-methoxy-4-methyl-5-oxopentanoic acid
• CAS: 33514-23-7；34927-41-8
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: GPERFEGHZZLCRG-YFKPBYRVSA-N

物化性质

• 沸点：
  271.7±23.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methylhydrogen-α-methylglutarat 在 氯化亚砜 作用下， 反应 2.0h， 生成 (-)-(S)-3-methylhexanedioic acid
  参考文献：
  名称：

  Correlation of α-Asymmetric Carbon Atom of α-Methylglutaric Acid to Methyladipic Acid: a Correction

  摘要：

  DOI：

  10.1246/bcsj.41.1482
• 作为产物：
  描述：

  甲醇 、 (S)-2-methylglutaric anhydride 生成 Methylhydrogen-α-methylglutarat
  参考文献：
  名称：

  Correlation of α-Asymmetric Carbon Atom of α-Methylglutaric Acid to Methyladipic Acid: a Correction

  摘要：

  DOI：

  10.1246/bcsj.41.1482

文献信息

• QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Nakajima Suanne

  公开号：US20100015092A1

  公开（公告）日：2010-01-21

  The present invention relates to compounds of Formula I or II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及公式I或II的化合物，或其药学上可接受的盐、酯或前药，其抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶NS3-NS4A的活性。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，也可用作抗病毒药物。本发明还涉及包含上述化合物的制药组合物，用于治疗患有丙型肝炎感染的受试者。本发明还涉及通过给予包含本发明化合物的制药组合物来治疗受试者的丙型肝炎感染的方法。
• Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors
  申请人：Nakajima Suanne

  公开号：US20070060510A1

  公开（公告）日：2007-03-15

  The present invention relates to compounds of Formula I or II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及公式I或II的化合物，或其药学上可接受的盐、酯或前药，其抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶NS3-NS4A的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包含上述化合物的制药组合物，用于治疗丙型肝炎病毒感染的患者。本发明还涉及通过给予本发明化合物的制药组合物来治疗患有丙型肝炎病毒感染的患者的方法。
• MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Miao Zhenwei

  公开号：US20090304629A1

  公开（公告）日：2009-12-10

  The present invention relates to compounds of Formula I, II or III, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: wherein W is a substituted or unsubstituted heterocyclic ring system. The compounds inhibit serine protease activity, particularly the activity of hepatitis c virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis c virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及I、II或III式化合物，或其药学上可接受的盐、酯或前药： 其中W是取代或未取代的杂环环系。这些化合物能够抑制丝氨酸蛋白酶活性，特别是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包括上述化合物的制药组合物，用于治疗患有HCV感染的受试者。本发明还涉及通过给予包括本发明的化合物的制药组合物来治疗受试者的HCV感染的方法。
• Folate Conjugates
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20140045919A1

  公开（公告）日：2014-02-13

  The present invention provides iRNA agent including at least one monomer having the structure shown in formula (I′) wherein: A and B are each independently for each occurrence O, N(R N ) or S; X is H, a protecting group, a phosphate group, a phosphodiester group, an activated phosphate group, an activated phosphite group, a phosphoramidite, a solid support, —P(Z′)(Z″)O-nucleoside, —P(Z′)(Z″)O-oligonucleotide, a lipid, a PEG, a steroid, a polymer, —P(Z′)(Z″)O-L 6 -Q′-L 7 -OP(Z′″)(Z″″)O-oligonucleotide, a nucleotide, or an oligonucleotide; Y is H, a protecting group, a phosphate group, a phosphodiester group, an activated phosphate group, an activated phosphite group, a phosphoramidite, a solid support, —P(Z′)(Z″)O-nucleoside, —P(Z′)(Z″)O-oligonucleotide, a lipid, a PEG, a steroid, a lipophile, a polymer, —P(Z′)(Z″)O-L 6 -Q′-L 7 -OP(Z′″)(Z″″)O-oligonucleotide, a nucleotide, or an oligonucleotide; R is folate, a folate analog a folate mimic or a folate receptor binding ligand; L 6 and L 7 are each independently for each occurrence —(CH 2 ) n —, —C(R′)(R″)(CH 2 ) n —, —(CH 2 ) n C(R′)(R″)—, —(CH 2 CH 2 O) m CH 2 CH 2 —, or —(CH 2 CH 2 O) m CH 2 CH 2 NH—; Q′ is NH, O, S, CH 2 , C(O)O, C(O)NH, —NH—CH(R a )—C(O)—, —C(O)—CH(R a )—NH—, CO, where R a is H or amino acid side; chain. R′ and R″ are each independently H, CH 3 , OH, SH, NH 2 , NH(Alkyl=Me, Et, Pr, isoPr, Bu, Bn) or N(diAlkyl=Me 2 , Et 2 , Bn 2 ); Z′, Z″, Z′″ and Z″″ are independently O or S; n represent independently for each occurrence 1-20; and m represent independently for each occurrence 0-50.

  本发明提供了包含至少一个单体的iRNA剂，该单体的结构如公式（I'）所示：其中：A和B分别独立于每个出现的O，N（RN）或S；X为H，保护基，磷酸基，磷酸二酯基，活化磷酸基，活化亚磷酸基，磷酰胺酯，固体支持，-P（Z'）（Z"）O-核苷，-P（Z'）（Z"）O-寡核苷酸，脂质，PEG，类固醇，聚合物，-P（Z'）（Z"）O-L6-Q'-L7-OP（Z'"）（Z"）O-寡核苷酸，核苷酸或寡核苷酸；Y为H，保护基，磷酸基，磷酸二酯基，活化磷酸基，活化亚磷酸基，磷酰胺酯，固体支持，-P（Z'）（Z"）O-核苷，-P（Z'）（Z"）O-寡核苷酸，脂质，PEG，类固醇，亲脂性物质，聚合物，-P（Z'）（Z"）O-L6-Q'-L7-OP（Z'"）（Z"）O-寡核苷酸，核苷酸或寡核苷酸；R为叶酸，叶酸类似物，叶酸模拟物或叶酸受体结合配体；L6和L7分别独立于每个出现的-(CH2)n-，-C（R'）（R"）（CH2)n-，-（CH2）nC（R'）（R"）-，-（CH2CH2O）mCH2CH2-或-（CH2CH2O）mCH2CH2NH-；Q'为NH，O，S，CH2，C（O）O，C（O）NH，-NH-CH（Ra）-C（O）-，-C（O）-CH（Ra）-NH-，CO，其中Ra为H或氨基酸侧链；R'和R"分别独立于H，CH3，OH，SH，NH2，NH（Alkyl=Me，Et，Pr，isoPr，Bu，Bn）或N（diAlkyl=Me2，Et2，Bn2）；Z'，Z"，Z'"和Z""分别独立于O或S；n表示独立于每个出现的1-20；m表示独立于每个出现的0-50。
• METHOD FOR MAKING MACROCYCLES
  申请人：Heckrodt Thilo J.

  公开号：US20130217874A1

  公开（公告）日：2013-08-22

  Disclosed embodiments concern a method for making substantial quantities of desired macrocycles. Disclosed ring closing reactions make the macrocycle with desired olefin geometry in excellent yield and E/Z ratio. Particular embodiments of the current method concern intermediates that are obtained from commercially available starting materials in a small number of steps, thereby illustrating the commercial importance and applicability of the disclosed method. The macrocycle produced by the ring closing reaction can be further derivatized to provide analogs of the macrocyclic compounds.