Name: AY 9944
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212669393
Cas No:366-93-8
常用名:AY 9944
IUPAC:[(2-chlorophenyl)methyl]({[(1r,4r)-4-({[(2-chlorophenyl)methyl]amino}methyl)cyclohexyl]methyl})amine dihydrochloride
IUPAC:[(2-chlorophenyl)methyl]({[(1r,4r)-4-({[(2-chlorophenyl)methyl]amino}methyl)cyclohexyl]methyl})amine dihydrochloride
InChI key:NRVIEWRSGDDWHP-PMXFUEHMSA-N

分子式:C22H30Cl4N2
分子量:464.3
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:5.832433
SMILES:Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 |wU:12.10,wD:15.14,(8.37,,;-.77,-11.55,;-2.26,3.85,;-2.26,5.39,;-3.59,6.16,;-3.59,7.7,;-2.26,8.47,;-.92,7.7,;-.92,6.16,;.41,5.39,;.41,3.85,;-.92,3.08,;-.92,1.54,;.41,.77,;.41,-.77,;-.92,-1.54,;-.92,-3.08,;.41,-3.85,;.41,-5.39,;1.74,-6.16,;1.74,-7.7,;3.08,-8.47,;4.41,-7.7,;4.41,-6.16,;3.08,-5.39,;3.08,-3.85,;-2.26,-.77,;-2.26,.77,)|
SMILES:Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 |wU:12.10,wD:15.14,(8.37,,;-.77,-11.55,;-2.26,3.85,;-2.26,5.39,;-3.59,6.16,;-3.59,7.7,;-2.26,8.47,;-.92,7.7,;-.92,6.16,;.41,5.39,;.41,3.85,;-.92,3.08,;-.92,1.54,;.41,.77,;.41,-.77,;-.92,-1.54,;-.92,-3.08,;.41,-3.85,;.41,-5.39,;1.74,-6.16,;1.74,-7.7,;3.08,-8.47,;4.41,-7.7,;4.41,-6.16,;3.08,-5.39,;3.08,-3.85,;-2.26,-.77,;-2.26,.77,)|

AY 9944 是特异性的胆固醇生物合成抑制剂。它抑制 7- 脱氢胆固醇 Δ7- 还原酶 (IC50:13 nM)，导致胆固醇不足和 7DHC 积累。在高剂量下，它可在培养的胚胎中抑制固醇 Δ7-Δ8 异构酶，造成胆固醇 8-en-3β-ol 的积累。

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