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PAK-104P , CAS No.P612607, Inhibitor of ABCC2
Basic Description
| Synonyms | PAK104P |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | INHIBITOR |
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| Mechanism of action | Inhibitor of ABCC2 |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl 5-[(4R,6R)-4,6-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate |
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| INCHI | InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1 |
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| InChi Key | PFKHLXIJSNUZDT-KAYWLYCHSA-N |
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| Canonical SMILES | C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C |
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| Isomeric SMILES | C[C@@H]1C[C@H](OP(=O)(O1)C2=C(C(=C(N=C2C)C)C(=O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C |
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| PubChem CID | 21226959 |
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References
| 1. Chen ZS, Kawabe T, Ono M, Aoki S, Sumizawa T, Furukawa T, Uchiumi T, Wada M, Kuwano M, Akiyama SI. (1999) Effect of multidrug resistance-reversing agents on transporting activity of human canalicular multispecific organic anion transporter.. Mol Pharmacol, 56 (6): (1219-28). [PMID:10570049] [10.1021/op500134e] |
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