2-Amino-5-methylhexanal

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Amino-5-methylhexanal
• 化学式: C₇H₁₅NO
• 分子量: 129.2
• InChiKey: XUHAILYELOOMRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] BIOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSES A ACTIVITE BIOLOGIQUE
  申请人：AMURA THERAPEUTICS LTD

  公开号：WO2004007501A1

  公开（公告）日：2004-01-22

  Compounds of general formula (I) wherein: Z = CR3R4, where R3 and R4 are independently chosen from CO-7-alkyl P1 = CR5R6, P2 = O, CR7R8 or NR9, Y = CR10R11-C(O) or CR10R11-C(S) or CR10R11-S(O) or CR10R11-SO2 (X)o=.CR16R17 (W)n = 0, S, C(O), S(O) or S(O)2-or NR18 (V)m = C(O), C(S), S(O), S(O)2, S(O)2NH, OC(O), NHC(O), NHS(O), NHS(O)2, OC(O)NH, C(O)NH or CR19R20, C=N-C(O)-OR19 or C=N-C(O)-NHR19, U = a stable. 5- to 7-membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their salts, hydrates, solvates, complexes and prodrugs are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, .for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontitis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthritis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.

  通式（I）的化合物中：其中：Z = CR3R4，其中R3和R4分别选择自CO-7-烷基P1 = CR5R6，P2 = O，CR7R8或NR9，Y = CR10R11-C（O）或CR10R11-C（S）或CR10R11-S（O）或CR10R11-SO2（X）o = .CR16R17（W）n = 0，S，C（O），S（O）或S（O）2-或NR18（V）m = C（O），C（S），S（O），S（O）2，S（O）2NH，OC（O），NHC（O），NHS（O），NHS（O）2，OC（O）NH，C（O）NH或CR19R20，C = N-C（O）-OR19或C = N-C（O）-NHR19，U = a stable。5-至7-成员单环或稳定的8-至11-成员双环，其饱和或不饱和，并包括零至四个杂原子及其盐、水合物、溶剂合物、络合物和前药是猫hepsin K和其他半胱氨酸蛋白酶抑制剂的抑制剂，并可用作治疗剂，例如在骨质疏松症、Paget病、牙龈疾病如牙龈炎和牙周炎、恶性高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物还可用于验证治疗靶点化合物。
• Biologically active compounds
  申请人：Quibell Martin

  公开号：US20060100431A1

  公开（公告）日：2006-05-11

  Compounds of general formula (I) wherein Z=CR 3 R 4 , where R 3 and R 4 are independently chosen from C 0-7 -alkyl P 1 =CR 5 R 6 , P 2 =O, CR 7 R 8 or NR 9 , Y=CR 10 R 11 —C(O) or CR 10 R 11 —C(S) or CR 10 R 11 —S(O) or CR 10 R 11 —SO 2 (X) 0 =.CR 16 R 17 (W) n =0 , S, C(O), S(O) or S(O) 2 — or NR 18 (V) m =C(O), C(S), S(O), S(O) 2 , S(O) 2 NH, OC(O), NHC(O), NHS(O), NHS(O) 2 , OC(O)NH, C(O)NH or CR 19 R 20 , C═N—C(O)—OR 19 or C═N═C(O)—NHR 19 , U=a stable. 5- to 7 membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their sales, hydrates, solvates, complexes and prodruges are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthitis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.

  通式(I)的化合物，其中Z=CR3R4，其中R3和R4独立地选择自C0-7烷基；P1=CR5R6，P2=O，CR7R8或NR9；Y=CR10R11—C（O）或CR10R11—C（S）或CR10R11—S（O）或CR10R11—SO2（X）0=.CR16R17（W）n=0、S、C（O）、S（O）或S（O）2—或NR18（V）m=C（O）、C（S）、S（O）、S（O）2、S（O）2NH、OC（O）、NHC（O）、NHS（O）2、OC（O）NH、C（O）NH或CR19R20、C═N—C（O）—OR19或C═N═C（O）—NHR19；U=稳定的5-至7-成员单环或稳定的8-至11-成员双环，它可以是饱和或不饱和，并且可以包含零到四个杂原子，以及它们的盐、水合物、溶剂合物、配合物和前药是猫hepsin K和其他半胱氨酸蛋白酶抑制剂，可用作治疗剂，例如在骨质疏松症、帕吉特病、牙龈疾病如牙龈炎和牙周炎、恶性高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物也可用于验证治疗靶点化合物。
• BIOLOGICALLY ACTIVE COMPOUNDS
  申请人：Amura Therapeutics Limited

  公开号：EP1546150A1

  公开（公告）日：2005-06-29
• PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES
  申请人：Amura Therapeutics Limited

  公开号：EP1546150B1

  公开（公告）日：2009-03-04
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE CYSTÉINE PROTÉASE
  申请人：MEDIVIR AB

  公开号：WO2007006714A1

  公开（公告）日：2007-01-18

  [EN] Compounds of the formula II wherein R¹ and R^1, are halo; or one of R¹ and R^1, is halo, and the other is is H; R² is R⁴, -C(=O)R⁴; -OC(=O)R⁴, -S(=O)_nR⁴, -S(=O)nNRdRe; R³ is H, -OR⁴, -SR⁴; R^3' is H; or R³ and R^3' together define =O; R⁴ is -C₁C₆ alkyl, -C₀-C₃alkylenecarbocyclyl or -C₀-C₃alkyleneheterocyclyl, any of which is optionally substituted with up to three substituents selected from R⁷; R⁵ is -C₁C₅ alkyl, -CH₂CR^5"C₃-C₄-cycloalkyl; R^5' is H; or R⁵ and R^5' together with the carbon to which they are attached define C₄-C₆-cycloalkyl; R^5" is H, C₁C₂ alkyl, C₁C₂ haloalkyl, hydroxyl, OC₁C₂alkyl, fluoro; E is -C(=O)-, -S(=O)_m-, -NRaS(=O)_m-, -NRaC(=O)-, -OC(=O)-, -CRbRc-; R⁶ is a stable, optionally substituted, monocyclic or bicyclic carbocycle or heterocycle, wherein the, or each, ring has 4, 5 or 6 ring atoms and 0 to 3 hetero atoms selected from S, O and N; have utility in the treatment of disorders characterized by inappropriate expression or activation of cathepisn K, such as osteoporosis, osteoarthritis, rhuematoid arthritis or bone metastases.
  [FR] La présente invention a trait à des composés de formule II dans laquelle R¹ et R^1' sont halo; ou un parmi R¹ et R^1' est halo, et l'autre est H; R² est R⁴, -C(=O)R⁴; -OC(=O)R⁴, -S(=O)_nR⁴, -S(=O)nNRdRe; R³ est H, -OR⁴, -SR⁴; R^3' est H; ou R³ et R^3' ensemble représentent =O; R⁴ est -C₁C₆ alkyle, -C₀-C₃alkylènecarbocyclyle ou -C₀-C₃alkylènehétérocyclyle, dont un quelconque est éventuellement substitué par un jusqu'à trois substituants choisis parmi R⁷; R⁵ est -C₁C₅ alkyle, -CH₂CR^5"C₃-C₄-cycloalkyle; R^5' est H; ou R⁵ et R^5' ensemble avec le carbone auquel ils sont liés représentent C₄-C₆-cycloalkyle; R^5" est H, C₁C₂ alkyle, C₁C₂ haloalkyle, hydroxyle, OC₁C₂alkyle, fluoro; E est -C(=O)-, -S(=O)_m-, -NRaS(=O)_m-, -NRaC(=O)-, -OC(=O)-, -CRbRc-; R⁶ est un carbocycle ou hétérocycle monocyclique ou bicyclique stable, éventuellement substitué, dans lequel le ou chaque noyau comprend 4, 5 ou 6 atomes cycliques et 0 à 3 hétéroatomes choisis parmi S, O et N. Lesdits composés sont utiles dans le traitement de troubles caractérisés par une expression anormale ou une activation de la cathepsine K, tels que l'ostéoporose, l'ostéoarthrite, la polyarthrite rhumatoïde ou les métastases osseuses.