SRX246 | CAS 512784-93-9 | AnyMole

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HIT212673341

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HIT212673341

HIT ID:HIT212673341
Cas No:512784-93-9
常用名:SRX246
IUPAC:(2R)-4-{[1,4'-bipiperidin]-1'-yl}-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(1E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]butanamide
IUPAC:(2R)-4-{[1,4'-bipiperidin]-1'-yl}-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(1E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]butanamide
InChI key:FJUKOXWSIGULLE-JVOQCOEYSA-N

分子式:C42H49N5O5
分子量:703.884
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:4.682349
SMILES:C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1
SMILES:C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1

SRX246 has no interaction at V1b and V2 receptors. SRX246 shows negligible binding at 64 other receptors classes, including 35 G-proteincoupled receptors. SRX246 is a potent and CNS-penetrant vasopressin 1a (V1a) receptor antagonist (Ki=0.3 nM for human V1a).

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供应商
TargetMolSC
规格
货期
8-10周
纯度
-
¥ 10,500.00
1

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