PAD2-IN-1 | PAD2-IN-1 | CAS 2095109-82-1 | AnyMole

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HIT214323026

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HIT214323026

HIT ID:HIT214323026
Cas No:2095109-82-1
常用名:PAD2-IN-1
别名:PAD2-IN-1
IUPAC:N-[(1S)-1-(4-ethoxy-1-methyl-1H-1,3-benzodiazol-2-yl)-4-(2-fluoroethanimidamido)butyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
IUPAC:N-[(1S)-1-(4-ethoxy-1-methyl-1H-1,3-benzodiazol-2-yl)-4-(2-fluoroethanimidamido)butyl]-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
InChI key:AKTTZWGLDIDSGC-KRWDZBQOSA-N

分子式:C25H29FN6O3
分子量:480.544
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCOc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12
SMILES:CCOc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12

PAD2-IN-1, a benzimidazole-based derivative, is an efficacious and specific inhibitor of protein arginine deiminase 2 (PAD2). Demonstrating remarkable selectivity, PAD2-IN-1 exhibits a 95-fold higher affinity for PAD2 in comparison to PAD4 and a 79-fold higher affinity than PAD3.

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TargetMolSC
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货期
6-8周
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-
¥ 12,800.00
1

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