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CAS 1254032-66-0

:

[4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate

Description:
The chemical substance known as [4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate, with the CAS number 1254032-66-0, is a complex organic compound characterized by its multi-functional structure. It features a phenyl group substituted with a benzoate moiety, which contributes to its potential as an ester. The presence of an aminomethyl group and an isoquinoline derivative suggests that this compound may exhibit biological activity, possibly as a pharmaceutical agent or a research chemical. The specific stereochemistry indicated by the (1S) configuration implies that the compound has a defined spatial arrangement, which can significantly influence its reactivity and interactions with biological targets. Additionally, the presence of multiple methyl groups in the structure may enhance lipophilicity, affecting solubility and permeability. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, though further studies would be necessary to elucidate its properties and biological effects.
Formula:C28H27N3O3
InChI:InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1
InChI key:InChIKey=OURRXQUGYQRVML-AREMUKBSSA-N
SMILES:N(C([C@H](CN)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)=O)C3=CC4=C(C=C3)C=NC=C4
Synonyms:
  • Netarsudil
  • AR 13324
  • Benzoic acid, 2,4-dimethyl-, [4-[(1S)-1-(aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester
  • [4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
  • Rhopressa
  • Netarsudil，Besifovir
  • (S)-4-(3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
  • AR-11324
  • Netarsudil Impurity 8
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