{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Abacavir
CAS: 136470-78-5;136777-48-5
Molecular Formula: C14H18N6O
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Names and Identifiers
| Name | Abacavir |
| Synonyms | ABC 1592u89 Abacavir Abacavir(see A105000) [(1S,4R)-4-(2-AMINO-6-CYCLOPROPYLAMINO-PURIN-9-YL)-CYCLOPENT-2-ENYL]-METHANOL [(1s,4r)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol 2-Cyclopentene-1-methanol,4-[2-a-mino-6-(cyclopropylamino)-9H-purin-9-yl]-,(1S,4R) {(1R,4S)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)- 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S-cis)- |
| CAS | 136470-78-5 136777-48-5 |
| EINECS | 620-487-9 |
| InChI | InChI=1/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m0/s1 |
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Physico-chemical Properties
| Molecular Formula | C14H18N6O |
| Molar Mass | 286.33 |
| Density | 1.70±0.1 g/cm3(Predicted) |
| Melting Point | 165° |
| Boling Point | 636.0±65.0 °C(Predicted) |
| Specific Rotation(α) | D20 -59.7°; 43620 -127.8°; 36520 -218.1° (c = 0.15 in methanol) |
| Flash Point | 338.4°C |
| Solubility | DMSO : 100 mg/mL (349.25 mM; Need ultrasonic);H2O : 2 mg/mL (6.98 mM; Need ultrasonic) |
| Vapor Presure | 4.77E-17mmHg at 25°C |
| Appearance | White to off-white (Solid) |
| Color | Off-White to Pale Beige |
| Merck | 14,1 |
| pKa | 5.01(at 25℃) |
| Storage Condition | Sealed in dry,2-8°C |
| Refractive Index | 1.864 |
| MDL | MFCD04112763 |
| Use | Anti-AIDS Adjuvant drugs |
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Risk and Safety
| RTECS | GY5979200 |
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Nature
Open Data Verified Data
orange solid. UV maximum absorption (pH = l): 296,255nm (e14000, 10700);UV maximum absorption (pH 7): 284,259nm (e15900,9200);UV maximum absorption (pH = 13): 15800, 259nm (Φ21,) abacavir sulfate: CAS accession number [188062-50-2],(C14 Hi8-N6 0)2-H2 S04, A fine white powder.
Last Update：2024-01-02 23:10:35
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Preparation Method
Open Data Verified Data
acetamidocyclohex-2-ene methanol acetate and barium hydroxide octahydrate were dissolved in water, and the reaction was stirred under the protection of nitrogen. The reaction solution was neutralized with carbon dioxide, filtered, and the filtrate was concentrated. The resulting material and 2-amino -4,6-= chloropyrimidine and triethylamine were reacted with stirring in n-butanol, hydrochloric acid was added, and concentrated to dryness, and the resulting material was dissolved in chloroform. Unreacted 2-amino -4,6-= chloropyrimidine was removed by filtration and washed with chloroform. After column chromatography, the product and sodium acetate trihydrate obtained by column chromatography were dissolved in acetic acid aqueous solution, and 4 chlorobenzene diazonium hydrochloride, concentrated hydrochloric acid, the cold solution formed by water and sodium nitrate was stirred, and the precipitate was collected by filtration and washed with water to obtain the product 4-[2-amino -6 chloro -5-(4 chlorophenyl)]. Azo-4-pyrimidinyl] amino -2-cyclohexene -1-methanol. The product was suspended in ethanol, aqueous acetic acid was added, and the reaction was carried out by adding zinc powder in portions under reflux under nitrogen. The unreacted zinc was removed by filtration, the filtrate was concentrated, and the obtained substance was purified by column chromatography to obtain 4-[ (2,5-= amino-4-chloro-6-pyrimidinyl) amino]-2-cyclohexene-1-methanol. This was dissolved in diethoxymethyl acetate and refluxed. The solvent was distilled off under vacuum, dioxane and hydrochloric acid were added, stirred at room temperature, cooled, neutralized to pH = 7 with sodium hydroxide and extracted with chloroform/methanol 3:1. The organic layer was dried over magnesium sulfate, filtered and concentrated to give 4-(2-amino-6-chloro-9h-purin-9-yl) by column chromatography.-2-cyclohexene-1-methanol. The product was dissolved in ethanol, cyclopropylamine was added and reacted for 6h under nitrogen. Concentrate and add chloroform and saturated sodium bicarbonate solution. The aqueous layer was extracted with chloroform, concentrated, and separated by column chromatography to obtain the product.
Last Update：2022-01-01 09:08:21
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Introduction
Abacavir are powerful nucleoside analogs and reverse transcriptase inhibitors.
Last Update：2022-10-16 17:13:38
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol - Use
Open Data Verified Data
was first launched in the United States in May 1999. Enzyme inhibitor for human immunodeficiency virus. Like other nucleoside reverse transcriptase inhibitors, they are metabolized to active triphosphates, inhibiting the action of human immunodeficiency virus (HIV) reverse transcriptase. In combination with other anti-AIDS drugs to treat patients with HIV infection.
Last Update：2022-01-01 09:08:21
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View History
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
1216497-60-7
68515-60-6
cinnamyl 4-(piperidin-1-ylsulfonyl)benzoate
3-[6-(dimethylamino)-4-(trifluoromethyl)pyridin-2-yl]benzamide
N-Octadecylsulfosuccinamic acid sodium salt
175135-27-0
[1,1'-Biphenyl]-3-carboxylic acid, 5-amino-2'-methoxy-5'-methyl-
72058-36-7
3-Amino-N-ethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
1216497-60-7
68515-60-6
cinnamyl 4-(piperidin-1-ylsulfonyl)benzoate
3-[6-(dimethylamino)-4-(trifluoromethyl)pyridin-2-yl]benzamide
N-Octadecylsulfosuccinamic acid sodium salt
175135-27-0
[1,1'-Biphenyl]-3-carboxylic acid, 5-amino-2'-methoxy-5'-methyl-
72058-36-7
3-Amino-N-ethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide