Name: [Lys8, Lys9]-Neurotensin (8-13)
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214322464
Cas No:139026-64-5
常用名:[Lys8, Lys9]-Neurotensin (8-13)
别名:JMV438, [Lys8, Lys9]-Neurotensin (8-13)
IUPAC:(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid
InChI key:JDVIBJLNEIKOTF-VDXNIVNJSA-N

分子式:C38H64N8O8
分子量:760.978
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O

[Lys8, Lys9]-Neurotensin (8-13) (JMV438) is a Neurotensin analog that elicits analgesic effects by activating the G protein-coupled receptors NTS1 and NTS2. The compound has K i values of 0.33 nM and 0.95 nM for hNTS1 and hNTS2 receptors, respectively.

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