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Nigranoic acid
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 39111-07-4 |
| Description | Nigranoic acid is a natural product, and inhibits HIV-1 reverse transcriptase. Nigranoic acid exhibits protective effects on brain through PARP/AIF signaling pathway in cerebral ischemia-reperfusion animal model. |
Product Information
| Synonyms | 3,4-Secocycloarta-4(28),24-(Z)-diene-3,26-dioic acid |
| IUPAC Name | (Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid |
| Molecular Weight | 470.69 |
| Molecular Formula | C30H46O4 |
| Canonical SMILES | CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| InChI | InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1 |
| InChIKey | NJFOSFIPGRXARF-BRTULJEKSA-N |
| Purity | ≥98% (HPLC) |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Off-white to light yellow (Solid) |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 904 |
| Exact Mass | 470.33960994 |
| In Vivo | Nigranoic acid has a strong protective effect on rat cerebral ischemia-reperfusion injury, and acts by downregulating nerve cell Apoptosis by preventing the overactivation of PARP and AIF nuclear translocation. Nigranoic acid (1 mg/kg; i.g.; 6 hours and 2 hours before brain ischemia) significantly decreases Apoptosis and the expression levels of AIF protein, PARP protein, and AIF mRNA at different time-points. |
| PSA | 74.60000 |
| Target | HIV; Reverse Transcriptase |
| XLogP3-AA | 8.5 |
