Name: GR231118
Rating: 5 (10 reviews)

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HIT ID:HIT218852047
Cas No:158859-98-4
常用名:GR231118
别名:GR 231118
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(3S,9S,12S,18S,24S)-3,18-bis[(2S,3S)-2-amino-3-methylpentanamido]-24-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexaazatricyclo[25.3.0.0^{12,16}]triacontan-9-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(3S,9S,12S,18S,24S)-3,18-bis[(2S,3S)-2-amino-3-methylpentanamido]-24-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexaazatricyclo[25.3.0.0^{12,16}]triacontan-9-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide
InChI key:RJRBRCCJETZJLT-MUQWFOTFSA-N

分子式:C110H170N34O24
分子量:2352.784
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)C1CCCN1C(=O)[C@H](CCC(=O)NC[C@H](NC2=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)C1CCCN1C(=O)[C@H](CCC(=O)NC[C@H](NC2=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC

Potent neuropeptide Y (NPY) Y1 receptor antagonist (pA2 = 10 and 10.5 at rY1 and hY1, receptors respectively). Also a potent and selective NPY Y4 receptor agonist (pEC50 values are 6.0, 8.6 and 6.1 for rY2, hY4 and rY5 receptors respectively). Suppresses food intake in rats in vivo. Also has affinity for neuropeptide FF (NPFF) receptors in vitro (Ki = 43-73 nM).

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