Name: AC-178335
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212711980
Cas No:212966-15-9
常用名:AC-178335
别名:AC178335, AC 178335
IUPAC:(2R,3R)-N-[(1R)-4-carbamimidamido-1-{[(1R)-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-[(2R)-2-[(2R)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-methylpentanamide
IUPAC:(2R,3R)-N-[(1R)-4-carbamimidamido-1-{[(1R)-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-2-[(2R)-2-[(2R)-2-acetamido-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-methylpentanamide
InChI key:ADIUJENJSJKNSC-FKJNZLKYSA-N

分子式:C49H63N13O7
分子量:946.127
氢键供体数 (HBD):12
氢键受体数 (HBA):11
LogP:0.06522007
SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O
SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O

AC-178335 is a pure somatostatin (SRIF) antagonist with an affinity constant (Ki) of 172 +/- 12 nM. AC-178335 blocks SRIF inhibition of adenylate cyclase in vitro (IC50 = 5.1 +/- 1.4 microM). It induces GH release when given alone (50 micrograms intravenously) to anesthetized rats with or without pretreatment with a long-acting SRIF agonist.

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