Introduction：Basic information about CAS 625115-52-8|Nelociguat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Nelociguat |
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| CAS Number | 625115-52-8 | Molecular Weight | 408.389 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 533.3±50.0 °C at 760 mmHg |
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| Molecular Formula | C19H17FN8O2 | Melting Point | / |
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| MSDS | / | Flash Point | 276.3±30.1 °C |
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Names
| Name | methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate |
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| Synonym | More Synonyms |
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Nelociguat BiologicalActivity
| Description | Nelociguat (BAY60-4552) is a nitric oxide sensitive soluble guanylate cyclase stimulator. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>Guanylate CyclaseResearch Areas >>Cardiovascular Disease |
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| In Vitro | Soluble guanylate cyclase (sGC) is a key enzyme in the nitric oxide (NO) signalling pathway[1]. Riociguat is metabolized to BAY60-4552 not only via cytochrome P450 isoenzymes 3A4 (CYP3A4), CYP2C8, and CYP2J2, but also via CYP1A1, located in the liver and lungs[2]. |
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| In Vivo | GSK2181236A and BAY 60-4552 provide partial benefit against hypertension-induced end-organ damage. In spontaneously hypertensive stroke-prone rats, a low dose of BAY 60-4552 decreases urine output and improved survival. A high dose also reduces urine output, and in addition reduces microalbuminuria and attenuates the increase in mean arterial pressure. Both the 0.3 and 3 mg/kg/day doses of BAY 60-4552 improves survival of 46 and 69%. Seven weeks of treatment with BAY 60-4552 (0.3 and 3.0 mg/kg/day) dose-dependently decreases urine output to 79±11 and 56±10 mL/day[1]. BAY 60-4552, and vardenafil provides synergistic beneficial effects and might therefore salvage patients who experience treatment failures with PDE5 inhibitors after radical prostatectomy[3]. |
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| Animal Admin | Rats: Rats are orally gavaged with vehicle (0.5% HPMC, 5% DMSO, and 0.1% Tween 80; 10 mL/kg; n=14), GSK2181236A (0.1 or 1.0 mg/kg; n=11-14), or BAY 60-4552 (0.3 or 3.0 mg/kg; n=10-12) 2 h prior to ischemia. Blood is collected at the initiation of ischemia and after 24 h reperfusion. Plasma is obtained for analysis[1]. |
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| References | [1]. Costell MH, et al. Comparison of soluble guanylate cyclase stimulators and activators in models of cardiovascular disease associated with oxidative stress. Front Pharmacol. 2012 Jul 5;3:128. [2]. Zhao X, et al. Pharmacokinetics of the Soluble Guanylate Cyclase Stimulator Riociguat in Healthy Young Chinese Male Non-Smokers and Smokers: Results of a Randomized, Double-Blind, Placebo-Controlled Study. Clin Pharmacokinet. 2016 May;55(5):615-24. [3]. Oudot A, et al. Combination of BAY 60-4552 and vardenafil exerts proerectile facilitator effects in rats with cavernous nerve injury: a proof of concept study for the treatment of phosphodiesterase type 5 inhibitor failure. Eur Urol. 2011 Nov;60(5):1020-6. |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 533.3±50.0 °C at 760 mmHg |
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| Molecular Formula | C19H17FN8O2 |
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| Molecular Weight | 408.389 |
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| Flash Point | 276.3±30.1 °C |
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| Exact Mass | 408.145844 |
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| PSA | 151.08000 |
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| LogP | -0.10 |
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| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
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| Index of Refraction | 1.748 |
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| InChIKey | FTQHGWIXJSSWOY-UHFFFAOYSA-N |
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| SMILES | COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N |
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| Storage condition | 2-8℃ |
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Carbamic acid,N-(4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-pyrimidinyl)-,methyl ester |
| UNII-M2A18LL56O |
| Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate |
| Bay 60-4552 |
| Nelociguat |
| Nelociguat [INN] |
| Carbamic acid,(4,6-diamino-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-5-pyrimidinyl)-,methyl ester |
| Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-, methyl ester |
