N1-[(1S)-2-Amino-1-benzyl-2-oxoethyl]-(2S)-(5-guanidino)-2-[(1-naphthylsulfonyl)amino]pentanamide | 475496-54-9

• 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
• 英文名称: N1-[(1S)-2-Amino-1-benzyl-2-oxoethyl]-(2S)-(5-guanidino)-2-[(1-naphthylsulfonyl)amino]pentanamide
• 英文别名: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-(naphthalen-1-ylsulfonylamino)pentanamide
• CAS: 475496-54-9
• 化学式: C₂₅H₃₀N₆O₄S
• 分子量: 510.617
• InChiKey: PRPFDGQQHQCARZ-SFTDATJTSA-N

物化性质

• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  191
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Sulfonylamino-peptidomimetics active on the somatostatin receptor subtypes 4 (sstr4) and 1 (sstr1)
  申请人：Tomperi Jussi

  公开号：US20070129313A1

  公开（公告）日：2007-06-07

  The invention relates to 1-naphthalenesulfonylamino based peptidomimetics of formula (I), wherein B, R1 and R2 are as defined in the claims, and pharmaceutically acceptable salts thereof. Compounds of formula (I) possess high affinity and selectivity for the somatostatin receptor subtype SSTR4 or the somatostatin receptor subfamily SSTR1/SSTR4.

  本发明涉及基于1-萘磺酰胺的肽类类似物式(I)，其中B、R1和R2如权利要求中所定义，以及其药学上可接受的盐。式(I)化合物具有对生长抑素受体亚型SSTR4或生长抑素受体亚家族SSTR1 / SSTR4高亲和力和选择性。
• Molecules specific for NPFF receptors and uses thereof
  申请人：——

  公开号：US20030144310A1

  公开（公告）日：2003-07-31

  This invention provides a compound having the structure: 1 wherein R1 is straight chained or branched C1-C7 alkyl, hydroxyalkyl, alkoxyalkyl, alkylthioalkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; C5-C7 cycloalkenyl; naphthyl; arylalkyl, heteroarylalkyl, phenyl or heteroaryl, wherein the arylalkyl, heteroarylalkyl, phenyl or heteroaryl is unsubstituted or substituted with one or more of the following substituents: halogen, hydroxy, C1-C6 alkoxy, aryloxy, straight chained or branched C2-C6 alkyl, aryl, heteroaryl, nitro, cyano, C1-C6 alkylthio, substituted or unsubstituted arylalkyl or heteroarylalkyl, —C(═Y)R7, —C(═Y)OR7, —N(R7) 2 , —C(═Y)NR7, —NR7C(═Y)R7 or —N(R7)C(═Y)N(R7) 2 , wherein Y is O or S; wherein R7 is independently H, straight chained or branched C1-C7 alkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; C5-C7 cycloalkenyl; wherein R2 is —(CH 2 ) n —NH—C(═NH)—NH 2 ; —(CH 2 )n—C(═NH)—NH 2 ; —(CH 2 ) n —N(R7) 2 ; or -J; wherein n is an integer between 1 and 6, and wherein J is any of the following structures: 2 wherein each of R3 and R4 is independently H, straight chained or branched C1-C7 alkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; or C5-C7 cycloalkenyl; wherein R5 is —OR8 or —N(R8) 2 ; wherein each R8 is independently H, straight chained or branched C1-C7 alkyl, alkoxyalkyl, alkylthioalkyl, monofluoroalkyl or polyfluoroalkyl; straight chained or branched C2-C7 alkenyl or alkynyl; C3-C7 cycloalkyl, monofluorocycloalkyl, or polyfluorocycloalkyl; C5-C7 cycloalkenyl; wherein R6 is arylalkyl, heteroarylalkyl, aryl or heteroaryl, each optionally substituted with one or more of the following substituents: halogen, hydroxy, C1-C6 alkoxy, aryloxy, straight chained or branched C1-C6 alkyl, aryl, heteroaryl, nitro, cyano, C1-C6 alkylthio, substituted or unsubstituted arylalkyl or heteroarylalkyl, —C(═Y)R7, —C(═Y)OR7, —N(R7) 2 , —C(═Y)NR7, —NR7C(═Y)R7 or —N(R7)C(═Y)N(R7) 2 , or a pharmaceutically acceptable salt thereof. This invention also provides a method of treating a lower urinary tract disorder in a subject in need of such treatment comprising administering to the subject an effective amount of any of the aforementioned compounds.

  本发明提供了一种具有以下结构的化合物：1其中，R1是直链或支链C1-C7烷基，羟基烷基，烷氧基烷基，烷硫基烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；C5-C7环烯基；萘基；芳基烷基，杂芳基烷基，苯基或杂芳基，其中芳基烷基，杂芳基烷基，苯基或杂芳基未取代或取代有以下一种或多种取代基：卤素，羟基，C1-C6烷氧基，芳氧基，直链或支链C2-C6烷基，芳基，杂芳基，硝基，氰基，C1-C6烷硫基，取代或未取代的芳基烷基或杂芳基烷基，-C(═Y)R7，-C(═Y)OR7，-N(R7)2，-C(═Y)NR7，-NR7C(═Y)R7或-N(R7)C(═Y)N(R7)2，其中Y是O或S；其中R7独立地是H，直链或支链C1-C7烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；C5-C7环烯基；其中R2是-(CH2)n-NH-C(═NH)-NH2；-( )n-C(═NH)-NH2；-( )n-N(R7)2；或-J；其中n是1至6之间的整数，其中J是以下任何一种结构：2其中R3和R4各自独立地是H，直链或支链C1-C7烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；或C5-C7环烯基；其中R5是-OR8或-N(R8)2；其中每个R8独立地是H，直链或支链C1-C7烷基，烷氧基烷基，烷硫基烷基，单氟烷基或多氟烷基；直链或支链C2-C7烯基或炔基；C3-C7环烷基，单氟环烷基或多氟环烷基；C5-C7环烯基；其中R6是芳基烷基，杂芳基烷基，芳基或杂芳基，每个可选地取代有以下一种或多种取代基：卤素，羟基，C1-C6烷氧基，芳氧基，直链或支链C1-C6烷基，芳基，杂芳基，硝基，氰基，C1-C6烷硫基，取代或未取代的芳基烷基或杂芳基烷基，-C(═Y)R7，-C(═Y)OR7，-N(R7)2，-C(═Y)NR7，-NR7C(═Y)R7或-N(R7)C(═Y)N(R7)2，或其药学上可接受的盐。本发明还提供了一种治疗需要此类治疗的受体下尿路障碍的主题的有效量的任何上述化合物的方法。
• SULFONYLAMINO-PEPTIDOMIMETICS ACTIVE ON THE SOMATOSTATIN RECEPTOR SUBTYPES 4 (SSTR4) AND 1 (SSTR1)
  申请人：Oy Juvantia Pharma Ltd

  公开号：EP1678196A1

  公开（公告）日：2006-07-12
• [EN] SULFONYLAMINO-PEPTIDOMIMETICS ACTIVE ON THE SOMATOSTATIN RECEPTOR SUBTYPES 4 (SSTR4) AND 1 (SSTR1)<br/>[FR] SULFONYLAMINO-PEPTIDOMIMETIQUES ACTIFS SUR LES SOUS-TYPES 4 (SSTR4) ET 1 (SSTR1) DU RECEPTEUR DE SOMATOSTATINE
  申请人：JUVANTIA PHARMA LTD OY

  公开号：WO2005033124A1

  公开（公告）日：2005-04-14

  The invention relates to 1-naphthalenesulfonylamino based peptidomimetics of formula (I), wherein B, R1 and R2 are as defined in the claims, and pharmaceutically acceptable salts thereof. Compounds of formula (I) possess high affinity and selectivity for the somatostatin receptor subtype SSTR4 or the somatostatin receptor subfamily SSTR1/SSTR4.