2-(3-甲基-3-戊烷基)吡啶 | 85895-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-(3-甲基-3-戊烷基)吡啶
• 英文名称: 2-(α-Methyl-α-ethyl-propyl)-pyridin
• 英文别名: 2-(1-ethyl-1-methyl-propyl)-pyridine；2-(1-Ethyl-1-methylpropyl)pyridine；2-(3-methylpentan-3-yl)pyridine
• CAS: 85895-81-4
• 化学式: C₁₁H₁₇N
• 分子量: 163.263
• InChiKey: LZBIYSQACJTTQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

文献信息

• SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20190224188A1

  公开（公告）日：2019-07-25

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B 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 HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式(I)的化合物及其药学上可接受的盐： 这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• [EN] N-(2-(4-((1R,3R)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOL-1-YL)PHENOXY)ETHYL)PROPAN-1-AMINE DERIVATIVES AND RELATED COMPOUNDS AS SELECTIVE DOWN-REGULATORS OF THE ESTROGEN RECEPTOR FOR TREATING CANCER<br/>[FR] DÉRIVÉS N-(2-(4-((1R,3R)-3-MÉTHYL-2,3,4,9-TÉTRAHYDRO-1H-PYRIDO [3,4-B]INDOL-1-YL)PHÉNOXY) ÉTHYL)PROPAN-1-AMINE ET COMPOSÉS ASSOCIÉS EN TANT QUE RÉGULATEURS NÉGATIFS SÉLECTIFS DU RÉCEPTEUR D'OESTROGÈNE POUR LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2018019793A1

  公开（公告）日：2018-02-01

  The specification relates to compounds of Formula (I) and to pharmaceutically acceptable salts thereof, to processes and intermediates used for their preparation, pharmaceutical compositions containing them and to the compounds of Formula (I) for use as selective down-regulators of the estrogen receptor in the treatment of cell proliferative disorders, such as cancer.

  该规范涉及到式（I）的化合物及其药用可接受的盐，用于它们的制备的过程和中间体，含有它们的药物组合物，以及用于作为选择性雌激素受体下调调节剂治疗细胞增殖性疾病（如癌症）的式（I）化合物。
• Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders
  申请人：Hagan James

  公开号：US20070270428A1

  公开（公告）日：2007-11-22

  The invention concerns the use of compounds of formula (I), (II) and (III): which are COX-2 (cyclooxygenase-2) inhibitors, and pharmaceutically acceptable salts or solvates thereof, for the treatment of depressive disorders in combination with an effective amount of a second component which is a selective serotonin reuptake inhibitor.

  本发明涉及使用式（I），（II）和（III）的化合物：这些化合物是COX-2（环氧合酶-2）抑制剂，以及其药学上可接受的盐或溶剂，与第二成分的有效量结合使用，该第二成分是选择性血清素再摄取抑制剂，用于治疗抑郁症。
• AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION
  申请人：Hearn Milton TW

  公开号：US20120259094A1

  公开（公告）日：2012-10-11

  The present invention relates generally to affinity ligands and chemical affinity ligand-matrix conjugates for use as chromatographic adsorbents and methods which utilise the adsorbents in the purification of proteins by affinity chromatography. The affinity ligand-matrix conjugates of the present invention comprise ligands of general formula (I): wherein m represents an integer from 0-2, n represents an integer from 0-6, p represents an integer from 0-4, R 1 represents H or C 1-3 alkyl, R 2 is an optional substituent, and X is the position at which the ligand is immobilized, optionally via a linker.

  本发明涉及亲和配体和化学亲和配体-基质共轭物，用作色谱吸附剂以及利用该吸附剂在亲和色谱中纯化蛋白质的方法。本发明的亲和配体-基质共轭物包括一般式（I）的配体： 其中m表示0-2的整数，n表示0-6的整数，p表示0-4的整数，R1表示H或C1-3烷基，R2是可选的取代基，X是配体通过链接剂固定的位置。
• PYRIMIDINE DERIVATIVES
  申请人：Bravi Gianpaolo

  公开号：US20100267755A1

  公开（公告）日：2010-10-21

  The invention provides the compounds of formula (I) and pharmaceutically acceptable salts thereof, in which: R 1 and R 2 are independently selected from the group consisting of H, C 1-6 alkyl, C 1-2 alkyl substituted by one to five fluorine atoms, C 3-6 alkenyl, C 3-6 alkynyl, C 3-10 cycloalkylC 0-6 alkyl, C 4-12 bridged cycloalkyl, A(CR 7 R 8 ) n and B(CR 7 R 8 ) n ; R 3 is selected from the group consisting of C 1-6 alkyl, NH 2 and R 10 CONH; R 4 is C 1-2 alkyl substituted by one to five fluorine atoms; R 5 is selected from the group consisting of H, C 1-4 alkyl, C 1-2 alkyl substituted with one to five fluorine atoms, halogen and C 3-10 cycloalkylC 0-6 alkyl, with the proviso that when R 6 is H R 5 is not H. R 6 is selected from the group consisting of H, C 1-4 alkyl, C 1-2 alkyl substituted with one to five fluorine atoms, halogen, C 1-4 alkoxy, CN, NO 2 , C 1-6 alkylOCO, NH 2 CO, C 1-6 alkylNHCO, NH 2 , C 1-6 alkylNH, (C 1-6 alkyl) 2 N, (C 1-6 alkyl) 2 NCO, C 1-6 alkylCONH, NH 2 SO 2 , C 1-6 alkylNHSO 2 , (C 1-6 alkyl) 2 NSO 2 , C 1-6 alkylSO 2 NH, ArSO 2 NH, C 1-6 alkylSO 2 , ArSO 2 , C 3-10 cycloalkylC 0-6 alkyl, C 3-6 alkenyl and C 3-6 alkynyl, with the proviso that when R 5 is H R 6 is not H. R 7 and R 8 are independently selected from H or C 1-6 alkyl; A is an unsubstituted 5- or 6-membered heteroaryl or an unsubstituted 6-membered aryl, or a 5- or 6-membered heteroaryl or a 6-membered aryl substituted by one or more R 9 ; R 9 is selected from the group consisting of hydroxy, halogen, C 1-6 alkyl, C 1-6 alkyl substituted by one more fluorine atoms, C 1-6 alkoxy, C 1-6 alkoxy substituted by one or more F, NH 2 SO 2 and C 1-6 alkylSO 2 ; R 10 is selected from the group consisting of H, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylOC 1-6 alkyl, phenyl, HO 2 CC 1-6 alkyl, C 1-6 alkylOCOC 1-6 alkyl, C 1-6 alkylOCO, H 2 NC 1-6 alkyl, C 1-6 alkylOCONHC 1-6 alkyl and C 1-6 alkylCONHC 1-6 alkyl; B is selected from the group consisting of defines the point of attachment of the ring; and n is 0 to 4. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of pain, fever and inflammation of a variety of conditions and diseases.

  本发明提供了式（I）化合物及其药学上可接受的盐，其中：R1和R2独立地选自H，C1-6烷基，被一到五个氟原子取代的C1-2烷基，C3-6烯基，C3-6炔基，C3-10环烷基C0-6烷基，C4-12桥环烷基，A（CR7R8）n和B（CR7R8）n；R3选自C1-6烷基，NH2和R10CONH；R4是被一到五个氟原子取代的C1-2烷基；R5选自H，C1-4烷基，被一到五个氟原子取代的C1-2烷基，卤素和C3-10环烷基C0-6烷基，但当R6为H时，R5不为H；R6选自H，C1-4烷基，被一到五个氟原子取代的C1-2烷基，卤素，C1-4烷氧基，CN，NO2，C1-6烷基羧酰基，NH2CO，C1-6烷基氨基酰基，NH2，C1-6烷基氨基，（C1-6烷基）2N，（C1-6烷基）2NCO，C1-6烷基酰胺基，NH2SO2，C1-6烷基NHSO2，（C1-6烷基）2NSO2，C1-6烷基SO2NH，ArSO2NH，C1-6烷基SO2，ArSO2，C3-10环烷基C0-6烷基，C3-6烯基和C3-6炔基，但当R5为H时，R6不为H；R7和R8独立地选自H或C1-6烷基；A是未取代的5-或6-成员杂芳基或未取代的6-成员芳基，或被一个或多个R9取代的5-或6-成员杂芳基或6-成员芳基；R9选自羟基，卤素，C1-6烷基，被一个或多个氟原子取代的C1-6烷基，C1-6烷氧基，被一个或多个F取代的C1-6烷氧基，NH2SO2和C1-6烷基SO2；R10选自H，C1-6烷基，C1-6烷氧基，C1-6烷基氧基C1-6烷基，苯基，HO2CC1-6烷基，C1-6烷氧基COC1-6烷基，C1-6烷氧基CO，H2NC1-6烷基，C1-6烷氧基CONHC1-6烷基和C1-6烷基CONHC1-6烷基；B选自定义环的连接点；n为0到4。式（I）化合物是COX-2的有效和选择性抑制剂，并可用于治疗各种疾病和病症的疼痛、发热和炎症。