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| CAS No.: | 139755-83-2 |
|---|---|
| Name: | Sildenafil |
| Article Data: | 43 |
| Molecular Structure: | |
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| Formula: | C22H30N6O4S |
| Molecular Weight: | 474.584 |
| Synonyms: | 4-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-7-propyl-3,5,8,9-tetrazabicyclo[4.3.0]nona-3,7,10-trien-2-one;Piperazine,1-[[3-(4,7-dihydro-1-methyl-7- oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin- 5-yl)-4-ethoxyphenyl]sulfonyl]-4-methyl-;Serum Albumin Iodine;Sildenafil Mesylate;Hongdenafil (Acetildenafil); |
| EINECS: | 200-659-6 |
| Density: | 1.39 g/cm3 |
| Melting Point: | 187-189 ºC |
| Boiling Point: | 672.4 ºC at 760 mmHg |
| Flash Point: | 360.5 ºC |
| Solubility: | Slightly soluble in water, methanol; very slightly soluble in ethanol, chloroform |
| Appearance: | White crystalline powder |
| Hazard Symbols: | Xi,T,F |
| Risk Codes: | 36/37/38-39/23/24/25-23/24/25-11 |
| Safety: | 22-24/25-36-26-45-36/37-16-7 |
| PSA: | 121.80000 |
| LogP: | 2.56750 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 200575-15-1
4-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)-benzamido]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol at 120℃; for 0.166667h; Cyclization; microwave irradiation; | 100% |
| With potassium tert-butylate In tert-butyl alcohol for 8h; Reflux; | 44% |
| With sodium hydroxide In water for 8h; Reflux; | 280 mg |
- 109-01-3
1-methyl-piperazine
- 139756-22-2
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| With pyridine In water at 50℃; Reagent/catalyst; Temperature; | 93.9% |
| With triethylamine In methanol at 20℃; for 0.75h; Product distribution / selectivity; | 91% |
| In acetone at 20℃; for 3h; Sealed tube; | 90% |
- 139756-22-2
5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
- 34352-59-5, 50398-09-9, 51545-09-6
1-methylpiperazine hydrochloride
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| With triethylamine; N-ethyl-N,N-diisopropylamine In water at 60℃; for 1.2h; | 91.8% |
- 1033861-39-0
7-chloro-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)-phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| Stage #1: 7-chloro-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)-phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine With water; sodium hydrogencarbonate In tert-butyl alcohol at 90℃; for 1.5 - 2h; Heating / reflux; Stage #2: With hydrogenchloride In water at 0℃; pH=8.5 - 9.5; Product distribution / selectivity; | 90% |
| Stage #1: 7-chloro-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)-phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine With water; sodium hydrogencarbonate In tert-butyl alcohol for 2h; Reflux; Stage #2: With hydrogenchloride In water pH=8.5 - 9.5; Product distribution / selectivity; | 90% |
| With water for 4h; Product distribution / selectivity; Heating / reflux; | 83% |
| Stage #1: 7-chloro-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)-phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine With hydrogenchloride; water at 60℃; for 2h; Stage #2: With sodium hydrogencarbonate In water at 0℃; pH=8.5 - 9.5; Product distribution / selectivity; | 79% |
- 1033861-54-9
7-bromo-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)-phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| Stage #1: 7-bromo-1-methyl-5-[2-ethoxy-5-(4-methylpiperazinylsulfonyl)-phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine With water; sodium hydrogencarbonate In tert-butyl alcohol for 2h; Heating / reflux; Stage #2: With hydrogenchloride In water at 0℃; pH=8.5 - 9.5; Product distribution / selectivity; | 75% |
- 109-01-3
1-methyl-piperazine
- 226956-42-9
4-(5-chlorosulfonyl-2-ethoxybenzamido)-1-methyl-3-n-propylpyrazole-5-carboxamide
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| Stage #1: 1-methyl-piperazine; 4-(5-chlorosulfonyl-2-ethoxybenzamido)-1-methyl-3-n-propylpyrazole-5-carboxamide In dichloromethane for 2h; Stage #2: With potassium carbonate In isopropyl alcohol for 4h; Reagent/catalyst; Reflux; | 71.7% |
- 109-01-3
1-methyl-piperazine
- 1491216-01-3
5-(2-ethoxy-5-iodophenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| Stage #1: 5-(2-ethoxy-5-iodophenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one With 1,10-Phenanthroline; potassium pyrosulfite; tetraethylammonium bromide; sodium formate; palladium diacetate; triphenylphosphine In dimethyl sulfoxide at 70℃; for 2h; Inert atmosphere; Microwave irradiation; Stage #2: 1-methyl-piperazine With N-Bromosuccinimide In tetrahydrofuran; dimethyl sulfoxide at 0 - 23℃; for 0.5h; Inert atmosphere; chemoselective reaction; | 50% |
- 109-01-3
1-methyl-piperazine
- 147676-70-8
5-(5-bromo-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| Stage #1: 5-(5-bromo-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one With 1,10-Phenanthroline; potassium pyrosulfite; tetraethylammonium bromide; sodium formate; palladium diacetate; triphenylphosphine In dimethyl sulfoxide at 70℃; for 3h; Inert atmosphere; Microwave irradiation; Stage #2: 1-methyl-piperazine With N-Bromosuccinimide In tetrahydrofuran; dimethyl sulfoxide at 0 - 23℃; for 0.5h; Inert atmosphere; chemoselective reaction; | 37% |
- 383427-84-7
ethyl 2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)-benzimidate
- 139756-02-8
4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
B
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| In 5,5-dimethyl-1,3-cyclohexadiene; ethyl acetate | A 22.6% B n/a |
- 109-01-3
1-methyl-piperazine
- 139756-21-1
5-(2-ethoxy)-phenyl-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-one
- 139755-83-2
viagra
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid 1), 2) EtOH; Multistep reaction; |
This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
History
Sildenafil (CAS NO.139755-83-2) (compound UK-92,480) was synthesized by a group of pharmaceutical chemists working at Pfizer's Sandwich, Kent, research facility in England. It was initially studied for use in hypertension (high blood pressure) and angina pectoris (a symptom of ischaemic heart disease).
Specification
Sildenafil(CAS NO.139755-83-2), its Synonyms are 1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine; Revatio; Viagra; Piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-. It is a drug used to treat erectile dysfunction and pulmonary arterial hypertension (PAH). It acts by inhibiting cGMP specific phosphodiesterase type 5, an enzyme that regulates blood flow in the penis.
Physical properties about Sildenafil are: (1)ACD/LogP: 2.468; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 10.24 ; (6)ACD/BCF (pH 7.4): 42.36; (7)ACD/KOC (pH 5.5): 121.40; (8)ACD/KOC (pH 7.4): 502.20; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 126.026 cm3; (14)Molar Volume: 339.438 cm3; (15)Polarizability: 49.961 10-24cm3; (16)Surface Tension: 54.4710006713867 dyne/cm; (17)Density: 1.398 g/cm3; (18)Flash Point: 360.5 °C; (19)ES27:Take off immediately all contaminated clothing. nthalpy of Vaporization: 98.77 kJ/mol; (20)Boiling Point: 672.4 °C at 760 mmHg; (21)Vapour Pressure: 6.1E-18 mmHg at 25°C
When you are using Sildenafil, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) ;
(2)InChIKey=BNRNXUUZRGQAQC-UHFFFAOYSA-N; (3)Smilesc1(c2nc3c(c(=O)[nH]2)n(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CCN(CC1)C)OCC