HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1644238Generated: October 31, 2026
HCID 76577160, compound → HCID 57828218, compound
https://huagongshe.com/reaction/1644238
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 76577160 | HCID 76577160 | — |
| Catalyst | Palladium | HCID 23938 | — |
| Solvent | Ethanol | HCID 702 | — |
| Product | HCID 57828218 | HCID 57828218 | 89.4% |
Reaction Steps
{3-[4-(4-Azido-but-1-enyl)-naphthalen-1-yloxy]-propyl}-carbamic acid tert-butyl ester 3.5 g was hydrogenated in ethanol with 5% Pd/C (50% wet) for 2 h. Catalyst was removed, and the filtrate was concentrated to give 2.94 g of {3-[4-(4-Amino-butyl)-naphthalen-1-yloxy]-propyl}-carbamic acid tert-butyl ester. One gram (2.66 mmol) of free amine was stirred with 1-(3,5-diamino-6-chloro-pyrazine-2-carbonyl)-2-methyl-isothiourea (1.55 g, 3.99 mmol) in dry ethanol (25 mL). Diisopropyl-ethylamine (1.39 mL, 7.98 mmol) of was added and the reaction mixture was warmed to 45° C. overnight. Ethanol was added and the reaction filtered. After concentration of the filtrate, the residue was purified by flash chromatography (0-10% MeOH/CH2Cl2) to give 0.92 g of [3-(4-{4-[N′-(3,5-Diamino-6-chloro-pyrazine-2-carbonyl)-guanidino]-butyl}-naphthalen-1-yloxy)-propyl]-carbamic acid tert-butyl ester. [3-(4-{4-[N′-(3,5-Diamino-6-chloro-pyrazine-2-carbonyl)-guanidino]-butyl}1-naphthalen-1-yloxy)-propyl]-carbamic acid tert-butyl ester (2.7 g was stirred with 4M HCl in p-dioxane for 1 hour at room temperature. Solvents were removed in vacuo. A small amount of the product was purified by flash chromatography to give 7 GS-426675 N-{4-[4-(3-Amino-propoxy)-naphthalen-1-yl]-butyl}-N′-(3,5-diamino-6-chloro-pyrazine-2-carbonyl)-guanidine as an HCl salt.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08124607B2 |
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| Source dataset | uspto-grants-2012_02 |
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| ORD ID | ord-9e8902e46fca4f7eab095db745460fa4 |
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| Source note | uspto-grants-2012_02 |
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