Name: RSV-IN-2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323513
Cas No:2448519-26-2
常用名:RSV-IN-2
IUPAC:(2S)-11-chloro-21-methyl-24-[(1r,3r)-3-hydroxycyclobutyl]-15-oxa-7,18,21,25,27,28-hexaazapentacyclo[24.2.1.0^{2,7}.0^{9,14}.0^{22,27}]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
IUPAC:(2S)-11-chloro-21-methyl-24-[(1r,3r)-3-hydroxycyclobutyl]-15-oxa-7,18,21,25,27,28-hexaazapentacyclo[24.2.1.0^{2,7}.0^{9,14}.0^{22,27}]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
InChI key:HIRKVDNSABOJID-ZJBJCVSYSA-N

分子式:C27H31ClN6O4
分子量:539.03
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCCN1C(=O)c1cc(Cl)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |wU:1.0,36.41,wD:34.38,(3.57,.84,;4.92,.11,;4.87,1.65,;6.18,2.46,;7.54,1.74,;7.59,.2,;6.28,-.62,;6.33,-2.16,;5.03,-2.97,;7.69,-2.88,;9,-2.07,;10.36,-2.79,;11.66,-1.98,;10.41,-4.33,;9.1,-5.15,;7.74,-4.42,;9.25,-4.51,;9.15,-6.68,;7.84,-7.5,;7.89,-9.04,;6.49,-6.77,;5.18,-7.59,;3.82,-6.86,;3.77,-5.32,;5.08,-4.51,;2.41,-4.6,;.96,-5.13,;-.22,-4.14,;.04,-2.62,;1.49,-2.09,;2.06,-.66,;3.62,-.7,;3.67,-2.24,;2.36,-3.06,;-1.66,-4.67,;-3.06,-4.03,;-3.71,-5.43,;-5.15,-5.96,;-2.31,-6.07,)|
SMILES:[H][C@@]12CCCCN1C(=O)c1cc(Cl)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |wU:1.0,36.41,wD:34.38,(3.57,.84,;4.92,.11,;4.87,1.65,;6.18,2.46,;7.54,1.74,;7.59,.2,;6.28,-.62,;6.33,-2.16,;5.03,-2.97,;7.69,-2.88,;9,-2.07,;10.36,-2.79,;11.66,-1.98,;10.41,-4.33,;9.1,-5.15,;7.74,-4.42,;9.25,-4.51,;9.15,-6.68,;7.84,-7.5,;7.89,-9.04,;6.49,-6.77,;5.18,-7.59,;3.82,-6.86,;3.77,-5.32,;5.08,-4.51,;2.41,-4.6,;.96,-5.13,;-.22,-4.14,;.04,-2.62,;1.49,-2.09,;2.06,-.66,;3.62,-.7,;3.67,-2.24,;2.36,-3.06,;-1.66,-4.67,;-3.06,-4.03,;-3.71,-5.43,;-5.15,-5.96,;-2.31,-6.07,)|

RSV-IN-2 is a powerful compound that acts as a dual inhibitor of both wild-type and mutant respiratory syncytial virus (RSV) fusion proteins. It efficiently inhibits the activity of these proteins, with an EC50 value of 0.27 nM for the wild-type and 0.70 nM for the D486N-mutant protein.

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