Name: WIN 66306
Rating: 5 (10 reviews)

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HIT ID:HIT212039187
Cas No:151928-32-4
常用名:WIN 66306
IUPAC:(2S)-2-(2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoyl]-2,3-dihydro-1H-pyrrol-2-yl]formamido}acetamido)-N-({[(1R,2S)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-oxopropan-2-yl]carbamoyl}methyl)-3-methylbutanamide
IUPAC:(2S)-2-(2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoyl]-2,3-dihydro-1H-pyrrol-2-yl]formamido}acetamido)-N-({[(1R,2S)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-oxopropan-2-yl]carbamoyl}methyl)-3-methylbutanamide
InChI key:MZGWPVIVGCXMPX-QFXPHGGCSA-N

分子式:C41H52N8O9
分子量:800.914
氢键供体数 (HBD):9
氢键受体数 (HBA):10
LogP:-0.7871251
SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CC=CN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)NCC(=O)N[C@H](C=O)[C@H](O)c1ccc(O)c(CC=C(C)C)c1 |wU:3.3,18.31,44.47,wD:11.10,41.43,c:13,(1.75,3.27,;.42,2.5,;-.91,3.27,;.42,.96,;-.91,.19,;-2.25,.96,;-2.25,2.5,;-3.58,.19,;-4.91,.96,;-6.25,.19,;-7.58,.96,;-6.25,-1.35,;-5,-2.26,;-5.48,-3.72,;-7.02,-3.72,;-7.49,-2.26,;-8.96,-1.78,;-9.28,-.28,;-10.1,-2.81,;-11.57,-2.34,;-11.89,-.83,;-13.29,-.2,;-13.13,1.33,;-11.63,1.65,;-10.86,2.98,;-9.32,2.98,;-8.55,1.65,;-9.32,.31,;-10.86,.31,;-9.78,-4.32,;-10.93,-5.35,;-12.39,-4.87,;-10.61,-6.86,;-11.75,-7.89,;1.75,.19,;1.75,-1.35,;3.09,.96,;4.42,.19,;5.76,.96,;5.76,2.5,;7.09,.19,;8.42,.96,;8.42,2.5,;9.76,3.27,;9.76,.19,;9.76,-1.35,;11.09,.96,;11.09,2.5,;12.42,3.27,;13.76,2.5,;15.09,3.27,;13.76,.96,;15.09,.19,;16.42,.96,;17.76,.19,;19.09,.96,;17.76,-1.35,;12.42,.19,)|
SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CC=CN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)NCC(=O)N[C@H](C=O)[C@H](O)c1ccc(O)c(CC=C(C)C)c1 |wU:3.3,18.31,44.47,wD:11.10,41.43,c:13,(1.75,3.27,;.42,2.5,;-.91,3.27,;.42,.96,;-.91,.19,;-2.25,.96,;-2.25,2.5,;-3.58,.19,;-4.91,.96,;-6.25,.19,;-7.58,.96,;-6.25,-1.35,;-5,-2.26,;-5.48,-3.72,;-7.02,-3.72,;-7.49,-2.26,;-8.96,-1.78,;-9.28,-.28,;-10.1,-2.81,;-11.57,-2.34,;-11.89,-.83,;-13.29,-.2,;-13.13,1.33,;-11.63,1.65,;-10.86,2.98,;-9.32,2.98,;-8.55,1.65,;-9.32,.31,;-10.86,.31,;-9.78,-4.32,;-10.93,-5.35,;-12.39,-4.87,;-10.61,-6.86,;-11.75,-7.89,;1.75,.19,;1.75,-1.35,;3.09,.96,;4.42,.19,;5.76,.96,;5.76,2.5,;7.09,.19,;8.42,.96,;8.42,2.5,;9.76,3.27,;9.76,.19,;9.76,-1.35,;11.09,.96,;11.09,2.5,;12.42,3.27,;13.76,2.5,;15.09,3.27,;13.76,.96,;15.09,.19,;16.42,.96,;17.76,.19,;19.09,.96,;17.76,-1.35,;12.42,.19,)|

WIN 66306 is a cyclic heptapeptide antagonist of neurokinin-1 (NK1) and NK2 receptors originally isolated from A. flavipes. It binds to NK1 and NK2 receptors and inhibits contractions induced by substance P in isolated guinea pig ileum in a concentration-dependent manner.

市场产品/服务共显示2个结果

供应商
TargetMolSC
规格
货期
10-14周
纯度
-
¥ 18,300.00
1
供应商
BIONET-Key OrganicsBB
规格
货期
4-6周
纯度
-
待询
1

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