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  3. HIT218852044
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HIT218852044
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HIT218852044
  • HIT ID:HIT218852044
  • Cas No:1061556-49-7
  • 常用名:Lei-Dab7
  • 别名:Lei-Dab 7
  • IUPAC:3-[(1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,44R,47S,50S,53S,56S,59R,66S,69S,75S,80S,83S,86S)-7-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-36,66-bis(4-aminobutyl)-56-(2-aminoethyl)-44-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-75-[(2S)-butan-2-yl]-15,53-bis(3-carbamimidamidopropyl)-80-(2-carbamoylethyl)-47-(carbamoylmethyl)-69-(carboxymethyl)-18,86-bis(hydroxymethyl)-21,27,30,50,83-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,74,77,78,81,84,87-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,73,76,79,82,85,88-pentacosaazatricyclo[37.24.14.11^{12,59}]octaoctacontan-4-yl]propanoic acid
    IUPAC:3-[(1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,44R,47S,50S,53S,56S,59R,66S,69S,75S,80S,83S,86S)-7-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-36,66-bis(4-aminobutyl)-56-(2-aminoethyl)-44-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-75-[(2S)-butan-2-yl]-15,53-bis(3-carbamimidamidopropyl)-80-(2-carbamoylethyl)-47-(carbamoylmethyl)-69-(carboxymethyl)-18,86-bis(hydroxymethyl)-21,27,30,50,83-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,74,77,78,81,84,87-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,73,76,79,82,85,88-pentacosaazatricyclo[37.24.14.11^{12,59}]octaoctacontan-4-yl]propanoic acid
  • InChI key:WEAKAAPTOACABK-LTVNWMHBSA-N
  • 分子式:C141H236N46O39S6
  • 分子量:3392.08
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
    SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
  • High affinity, selective KCa2.2 (SK2) channel blocker (Kd = 3.8 nM). Exhibits >200-fold selectivity for KCa2.2 over KCa2.1, KCa2.3, KCa3.1, IK, Kv and Kir2.1. Increases theta-burst responses and increases LTP in rat hippocampal slices in vitro. Convulsive in vivo.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    纯度
    -
    ¥ 9,045.00
    1

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