Name: BAM(8-22)
Rating: 5 (10 reviews)

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HIT ID:HIT212730272
Cas No:412961-36-5
常用名:BAM(8-22)
别名:BAM (8-22)
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-{[(2S)-1-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-{[(2S)-1-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}butanoic acid
InChI key:GOEYECACIBFJGZ-NPAGUKBMSA-N

分子式:C91H127N25O23S
分子量:1971.23
氢键供体数 (HBD):29
氢键受体数 (HBA):31
LogP:-11.064682
SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O
SMILES:CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O

Endogenous peptide fragment that is a potent agonist for MRGPRX1 (EC50 values are 8 - 150 nM); first isolated from bovine adrenal medulla. Unlike BAM 22P , does not contain the met-enkephalin motif therefore displays no affinity for opioid receptors.

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