Name: cAC 253 acetate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214403172
Cas No:
常用名:cAC 253 acetate
IUPAC:3-[(3S,9S,18S,21S,27S,30R,35R,38S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,82aS)-35-amino-3,44,65-tris(3-carbamimidamidopropyl)-30-carbamoyl-53,71-bis(2-carbamoylethyl)-9,21-bis(carbamoylmethyl)-6,12,24,74-tetrakis[(1R)-1-hydroxyethyl]-18,50-bis(hydroxymethyl)-27,77-bis[(4-hydroxyphenyl)methyl]-62-[(1H-imidazol-4-yl)methyl]-38,47,59,68-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78-pentacosaoxo-octacontahydropyrrolo[2,1-h1]1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77-pentacosaazacyclooctacontan-56-yl]propanoic acid; acetic acid
IUPAC:3-[(3S,9S,18S,21S,27S,30R,35R,38S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,82aS)-35-amino-3,44,65-tris(3-carbamimidamidopropyl)-30-carbamoyl-53,71-bis(2-carbamoylethyl)-9,21-bis(carbamoylmethyl)-6,12,24,74-tetrakis[(1R)-1-hydroxyethyl]-18,50-bis(hydroxymethyl)-27,77-bis[(4-hydroxyphenyl)methyl]-62-[(1H-imidazol-4-yl)methyl]-38,47,59,68-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78-pentacosaoxo-octacontahydropyrrolo[2,1-h1]1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77-pentacosaazacyclooctacontan-56-yl]propanoic acid; acetic acid
InChI key:ABNWEBRJBIGVSL-IXVFVREASA-N

分子式:C128H206N42O42S2
分子量:3069.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)C(NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O
SMILES:CC(O)=O.CC(C)C[C@@H]1NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)C(NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O

cAC 253 acetate (TP2135 Free base) 是 amylin 的拮抗剂，抑制 125I-adrenomedullin 结合，其IC50 值为 25 nM。

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