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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Endogenous Metabolite
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- Human immunodeficiency Virus (HIV)
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- Antiviral intermediates
Pirmitegravir
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| Category | HIV Integrase |
| CAS | 2245231-10-9 |
| Description | Pirmitegravir is a potent and first-in-class allosteric integrase (ALLINI) inhibitor that targets LEDGF/p75 binding site, and has excellent antiviral and safety properties. It shows picomolar IC50 in human PBMCs with a therapeutic index of >24000 for HIV-1. |
Product Information
| Synonyms | 1H-Pyrrolo[2,3-b]pyridine-5-acetic acid, 4-(4-chlorophenyl)-α-(1,1-dimethylethoxy)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-, (αS)-; (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid |
| IUPAC Name | (2S)-2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid |
| Molecular Weight | 495.01 |
| Molecular Formula | C27H31ClN4O3 |
| Canonical SMILES | CC1=C(N(C2=NC(=C(C(=C12)C3=CC=C(C=C3)Cl)C(C(=O)O)OC(C)(C)C)C)CC4=CN(N=C4)C)C |
| InChI | InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1 |
| InChIKey | GNRDGAWRAIJOSU-DEOSSOPVSA-N |
| Boiling Point | 706.1±60.0°C (Predicted) |
| Purity | ≥98% (HPLC) |
| Density | 1.25±0.1 g/cm3 (Predicted) |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 740 |
| Exact Mass | 494.2084686 |
| In Vitro | Pirmitegravir (Compound STP0404) inhibits dual tropic HIV-189.6 at 1.4 nM IC50 in CEMx174 cells. Pirmitegravir (Compound STP0404) is a highly potent ALLINI with picomolar to single-digit nanomolar IC50 values that inhibits both wild type and Ral-resistant HIV-1 strains. Pirmitegravir (Compound STP0404) displays IC50 of 0.41 nM against HIV-1NL4-3 without observable cytotoxicity in human PBMCs at 10 μM (TC50 >10μM). |
| In Vivo | Pirmitegravir (Compound STP0404) displays appropriate PK profiles for once daily administration. Pirmitegravir (Compound STP0404) lacks micronucleus-inducing and bone marrow cell proliferation inhibitory potentials in rats (500, 1000 and 2000 mg/kg/day), supporting that STP0404 is not genotoxic. Assessment of Pharmacokinetics (PK) profile of Pirmitegravir (Compound STP0404) in rat and dog. |
| Target | HIV Integrase; HIV |
| XLogP3-AA | 5 |
