Name: Myostatin-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848525
Cas No:2757831-08-4
常用名:Myostatin-IN-1
IUPAC:(2R)-6-amino-N-[(1R)-1-{[(1R)-1-{[(1R,2R)-1-{[(1R)-1-{[(R)-{[(1R)-5-amino-1-{[(1R,2R)-1-{[(1R)-1-{[(1R)-4-carbamimidamido-1-{[(1R,2R)-1-{[(1R)-1-{[(1R)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}(cyclohexyl)methyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-2-cyclohexylacetamido]hexanamide
IUPAC:(2R)-6-amino-N-[(1R)-1-{[(1R)-1-{[(1R,2R)-1-{[(1R)-1-{[(R)-{[(1R)-5-amino-1-{[(1R,2R)-1-{[(1R)-1-{[(1R)-4-carbamimidamido-1-{[(1R,2R)-1-{[(1R)-1-{[(1R)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}(cyclohexyl)methyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-2-cyclohexylacetamido]hexanamide
InChI key:LJOHXTAFMGLGQQ-QQAORGPTSA-N

分子式:C118H184N34O17
分子量:2350.991
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
SMILES:CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

Myostatin-IN-1 是一种高效的myostatin抑制剂 (myostatin、GDF-11、activin A 和 TGF-β1 的IC50分别为 0.19 μM、0.63 μM、0.89 μM 和 1.6 μM)，能增加小鼠胫骨前肌质量，适用于研究骨骼肌中myostatin的长期失活。

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