PPIase-Parvulin Inhibitor
ethyl 2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetate
Also Known As: PPIase-Parvulin Inhibitor|PPIase-Parvulin|HIC 016C|phenanthroline-2,7-diacetate|IN1141|phenanthroline-(2H,7H)-diacetate|PiB, >=98% (HPLC)|EX-A9587|NCGC00487158-02|J1.980.401A|PIB|diethyl-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo[lmn]|ethyl 1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-benzo[lmn]|DIETHYL-1,3,6,8-TETRAHYDRO-1,3,6,8-TETRAOXOBENZO[IMN][3,8]PHENANTHROLINE-2,7-DIACETATE|Diethyl-1,3,6,8-tetrahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7-diacetate|Diethyl 2,2'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)diacetate|ethyl 2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetate|1,3,6,8-Tetrahydro-1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7-diacetic acid diethyl ester|1,3,6,8-Tetraoxo-1,2,3,6,7,8-hexahydrobenzo[lmn][3,8]phenanthroline-2,7-bisacetic acid diethyl ester|benzo[lmn][3,8]phenanthroline-2,7-diacetic acid, 1,3,6,8-tetrahydro-1,3,6,8-tetraoxo-, diethyl ester|Diethyl 2,2'-(1,3,6,8-Tetraoxo-1,3,6,8-Tetrahydrobenzo[Lmn][3,8]Phenanthroline-2,7-Diyl)Diacetate,, Ppiase-Parvulin Inhibitor|diethyl 2,2'-(1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)diacetate|ethyl 2-[13-(2-ethoxy-2-oxo-ethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetate|ethyl 2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl]acetate
| Molecular Formula | C22H18N2O8 |
|---|---|
| Molecular Weight | 438.10632 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.10632 |
| Monoisotopic Mass | 438.10632 |
| Heavy Atoms | 32 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 64005-90-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(=O)OCC)C1=O |
| InChIKey | WNKQGFNIIHNGQM-UHFFFAOYSA-N |
Product Overview
PPIase-Parvulin Inhibitor (CAS 64005-90-9), with molecular formula C22H18N2O8 and molecular weight 438.10632 g/mol. IUPAC: ethyl 2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetate.