Name: Ro 25-1553
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT219200954
Cas No:159427-08-4
常用名:Ro 25-1553
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(2S,5S,8S,11S,19S)-11-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-({[({[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)pentyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-8-(carbamoylmethyl)-2-[(4-hydroxyphenyl)methyl]-5-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentaazacycloicosan-19-yl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-4-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanamido]propanamido]propanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(2S,5S,8S,11S,19S)-11-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-({[({[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)pentyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-8-(carbamoylmethyl)-2-[(4-hydroxyphenyl)methyl]-5-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentaazacycloicosan-19-yl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-4-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanamido]propanamido]propanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]butanoic acid
InChI key:JMANBOAVSPGMLK-RQYGEWOISA-N

分子式:C160H258N46O46
分子量:3562.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(N)=O
SMILES:CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(N)=O

Ro 25-1553 是由 31 个氨基酸组成的血管活性肠肽 (VIP) 类似物，作为 VIP2 受体 (VPAC2 receptor) 的激动剂。在豚鼠模型中，Ro 25-1553 显示出对神经诱发或 Carbachol 诱发的气管平滑肌收缩的支气管扩张作用。

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