Cas no 139893-43-9 (Simvastatin acid ammonium)
Simvastatin acid ammonium Chemical and Physical Properties
Names and Identifiers
-
- Simvastatin ammonium salt
- SIMVASTATIN HYDROXY ACID, AMMONIUM SALT
- Ammonium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutyryloxy)-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthyl]-3,5-dihydroxyheptanoate
- 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a
- 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (R,dR,1S,2S,6R,8S,8aR)- (9CI)
- Simvastatin impurity A
- (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate ammonium salt
- (3S,5S)-Simvastatin Hydroxy Acid Ammonium Salt
- Simvastatin Hydroxy
- Tenivastatin ammonium salt
- azanium,(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
- (βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
- Simvastatin acid ammonium salt
- Simvastatin carboxylic acid ammonium salt
- Simvastatin hydroxyl acid ammonium salt
- Simvastatin acid ammonium
- Ammonium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
- 139893-43-9
- 76RD797JAX
- Simvastatinammoniumsalt
- 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,D-dihydroxy-2,6-dimethyl-, monoammonium salt, (br,dr,1S,2S,6R,8S,8aR)- (9ci);
- NS00078152
- azanium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
- EC 604-165-5
- SCHEMBL2987588
- Simvastatin acid (ammonium)
- Tenivastatin ammonium
- J-007330
- (betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Ammonium Salt
- Azane;7-[8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
- Tenivastatin (ammonium)
- DTXSID60449890
- Ammonium simvastatin
- (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic Acid Ammonium Salt (Tenivastatin Ammonium Salt)
- CS-0079236
- 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-.beta.,.delta.-dihydroxy-2,6-dimethyl-, ammonium salt (1:1), (.beta.R,.delta.R,1S,2S,6R,8S,8aR)-
- FFPDWNBTEIXJJF-OKDJMAGBSA-N
- Simvastatin Hydroxy Acid Ammonium Salt
- UNII-76RD797JAX
- HY-119695A
- A885934
- Ammonium (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate
- DTXCID30400711
- 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,D-dihydroxy-2,6-dimethyl-, monoammonium salt, (br,dr,1S,2S,6R,8S,8aR)-(9ci);
-
- MDL: MFCD07773041
- Inchi: 1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
- InChI Key: FFPDWNBTEIXJJF-OKDJMAGBSA-N
- SMILES: O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@@H]12.[NH4+]
Computed Properties
- Exact Mass: 453.30900
- Monoisotopic Mass: 436.282
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 32
- Rotatable Bond Count: 11
- Complexity: 694
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 104A^2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.13
- Melting Point: 160-163°C
- Boiling Point: No data available
- Flash Point: No data available
- Refractive Index: 1.536
- PSA: 107.30000
- LogP: 4.42960
- Vapor Pressure: No data available
- Specific Rotation: +267.800° (c=0.5, DMF/H2O=1:1)
Simvastatin acid ammonium Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H351-H360-H412
- Warning Statement: P201-P273-P281-P308+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 61-40-52/53-64
- Safety Instruction: S26; S36
-
Hazardous Material Identification:
- Risk Phrases:R36/37/38
- Storage Condition:?20°C
- HazardClass:6.1
- PackingGroup:Ⅲ
Simvastatin acid ammonium Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S302812-250mg |
Simvastatin acid ammonium |
139893-43-9 | 95% | 250mg |
¥411.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S302812-25g |
Simvastatin acid ammonium |
139893-43-9 | 95% | 25g |
¥3562.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S302812-1g |
Simvastatin acid ammonium |
139893-43-9 | 95% | 1g |
¥871.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S302812-5g |
Simvastatin acid ammonium |
139893-43-9 | 95% | 5g |
¥1948.90 | 2023-09-01 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 07363-25MG |
Tenivastatin ammonium salt |
139893-43-9 | analytical standard | 25MG |
¥2635.24 | 2022-02-23 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S57510-250mg |
Simvastatin Ammonium |
139893-43-9 | 250mg |
¥2122.0 | 2021-09-07 | ||
| ChemScence | CS-0079236-5mg |
Simvastatin acid ammonium |
139893-43-9 | 99.32% | 5mg |
$50.0 | 2021-09-02 | |
| ChemScence | CS-0079236-10mg |
Simvastatin acid ammonium |
139893-43-9 | 99.32% | 10mg |
$80.0 | 2021-09-02 | |
| ChemScence | CS-0079236-25mg |
Simvastatin acid ammonium |
139893-43-9 | 99.32% | 25mg |
$130.0 | 2021-09-02 | |
| ChemScence | CS-0079236-50mg |
Simvastatin acid ammonium |
139893-43-9 | 99.32% | 50mg |
$180.0 | 2021-09-02 |
Simvastatin acid ammonium Suppliers
Simvastatin acid ammonium Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
Additional information on Simvastatin acid ammonium
Simvastatin Acid Ammonium: A Comprehensive Overview
Simvastatin acid ammonium, with the CAS number 139893-43-9, is a critical compound in the field of pharmaceuticals, particularly in the management of cardiovascular diseases. This compound is a derivative of simvastatin, a well-known HMG-CoA reductase inhibitor, and has garnered significant attention due to its role in lipid metabolism regulation. The compound's chemical structure, consisting of a statin backbone and an ammonium group, contributes to its unique pharmacological properties.
The development of simvastatin acid ammonium was driven by the need for more effective and safer lipid-lowering agents. Recent studies have highlighted its ability to significantly reduce low-density lipoprotein cholesterol (LDL-C) levels while maintaining high-density lipoprotein cholesterol (HDL-C) levels. This dual action makes it a preferred choice for patients at high risk of cardiovascular events. Moreover, advancements in synthetic methodologies have improved the purity and bioavailability of this compound, further enhancing its therapeutic potential.
One of the most notable aspects of simvastatin acid ammonium is its mechanism of action. By inhibiting HMG-CoA reductase, the rate-limiting enzyme in cholesterol biosynthesis, this compound effectively reduces cholesterol production in the liver. This mechanism not only lowers plasma cholesterol levels but also promotes reverse cholesterol transport, a process that removes excess cholesterol from peripheral tissues and transports it to the liver for excretion.
Recent clinical trials have demonstrated the efficacy of simvastatin acid ammonium in diverse patient populations. For instance, studies conducted on postmenopausal women have shown that this compound can significantly improve lipid profiles while minimizing adverse effects such as myopathy and hepatotoxicity. Additionally, research into its pharmacokinetics has revealed that the ammonium form enhances solubility and absorption, leading to more predictable plasma concentrations.
The application of simvastatin acid ammonium extends beyond primary prevention of cardiovascular diseases. Emerging evidence suggests its potential role in managing other conditions associated with dyslipidemia, such as non-alcoholic fatty liver disease (NAFLD) and metabolic syndrome. Preclinical studies have shown that this compound can reduce hepatic steatosis and improve insulin sensitivity, highlighting its broader therapeutic implications.
In terms of safety profile, simvastatin acid ammonium has been well-tolerated in most clinical trials. However, monitoring for muscle-related side effects remains crucial due to the inherent risks associated with statin therapy. Recent advancements in biomarkers for statin-induced myopathy have enabled earlier detection and intervention, thereby improving patient outcomes.
The future of simvastatin acid ammonium looks promising as researchers continue to explore its potential in combination therapies and personalized medicine. For instance, ongoing studies are investigating its synergistic effects with other lipid-lowering agents such as PCSK9 inhibitors and bile acid sequestrants. Furthermore, the use of computational modeling and artificial intelligence is aiding in the discovery of novel analogs with enhanced efficacy and reduced toxicity.
In conclusion, simvastatin acid ammonium, with its unique chemical properties and robust clinical evidence, remains a cornerstone in lipid management. Its continued evolution through cutting-edge research ensures that it will remain a vital tool in combating cardiovascular diseases for years to come.
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