Name: Apelin-13 triTFA(217082-58-1(free base))
Rating: 5 (10 reviews)

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HIT ID:HIT212658753
Cas No:
常用名:Apelin-13 triTFA(217082-58-1(free base))
常用名:Apelin-13 triTFA(217082-58-1(free base))
IUPAC:2-{[1-(2-{[1-(2-{6-amino-2-[2-(2-{2-[2-({1-[2-(2-amino-4-carbamoylbutanamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}formamido)-5-carbamimidamidopentanamido]-4-methylpentanamido}-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido]hexanamido}acetyl)pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoyl)pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid; tris(trifluoroacetic acid)
IUPAC:2-{[1-(2-{[1-(2-{6-amino-2-[2-(2-{2-[2-({1-[2-(2-amino-4-carbamoylbutanamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}formamido)-5-carbamimidamidopentanamido]-4-methylpentanamido}-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido]hexanamido}acetyl)pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoyl)pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid; tris(trifluoroacetic acid)
InChI key:OIRYKVAVPJKHCU-UHFFFAOYSA-N

分子式:C75H114F9N23O22S
分子量:1892.92
氢键供体数 (HBD):21
氢键受体数 (HBA):25
LogP:-9.751184
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CSCCC(NC(=O)C1CCCN1C(=O)CNC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCC(N)=O)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CSCCC(NC(=O)C1CCCN1C(=O)CNC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCC(N)=O)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O

Apelin-13 triTFA(217082-58-1(free base)) 是 APJ 受体的内源性配体，可激活该 G 蛋白偶联受体，EC50 值为 0.37 nM。

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