Cas no 145576-25-6 (4'-Acetyl Simvastatin)
4'-Acetyl Simvastatin Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2,2-dimethyl-,(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenylester
- [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
- 4?-Acetyl Simvastatin
- Butanoic acid,2,2-dimethyl-,(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-h
- Acetyl simvastatin
- (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-(Acetoxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- 4′-Acetylsimvastatin
- 4'-Acetylsimvastatin
- SiMvastatin Acetate
- SiMvastatin IMpurity-B
- Simvastatin EP Impurity B
- SiMvastatin IMpurity B (Acetyl SiMvastatin)
- (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- 2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(Acetyloxy)tetrahydro -6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-diMethyl-1-naphthalenyl Ester
- ACETYLSIMVASTATIN
- 4'-Acetyl Simvastatin
- Simvastatin Imp. B
- 4-Acetylsimvastatin
- CS-0112448
- 171OXS3HEK
- SIMVASTATIN IMPURITY, ACETYL SIMVASTATIN- [USP IMPURITY]
- 145576-25-6
- Simvastatin Imp. B (EP); Acetyl Simvastatin; (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate; Simvastatin Acetate Ester; Simvastatin Impurity B
- (1S,3R,7S,8S,8AR)-8-{2-[(2R,4R)-4-(ACETYLOXY)-6-OXOOXAN-2-YL]ETHYL}-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2,2-DIMETHYLBUTANOATE
- SIMVASTATIN IMPURITY B (EP IMPURITY)
- Q27251852
- SCHEMBL661954
- Simvastatin impurity, acetyl simvastatin-(USP)
- (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-(acetyloxy)-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8ahexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- ACETYL SIMVASTATIN (USP-RS)
- DB14648
- (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate (Simvastatin Acetate Ester)
- Simvastatin impurity, acetyl simvastatin-[USP]
- HY-135405
- J-008126
- SIMVASTATIN IMPURITY, ACETYL SIMVASTATIN-[USP IMPURITY]
- UNII-171OXS3HEK
- SIMVASTATIN IMPURITY B [EP IMPURITY]
- SIMVASTATIN IMPURITY, ACETYL SIMVASTATIN-(USP IMPURITY)
- Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester
- Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester
- ACETYL SIMVASTATIN [USP-RS]
- Simvastatin specified impurity B
- AKOS040732310
- Simvastatin specified impurity B [EP]
- Simvastatin impurity, acetyl simvastatin- [USP]
- DTXCID9085590
- DTXSID10163099
- Simvastatin acetate ester
- DA-60723
-
- Inchi： InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1
- InChI Key： OHVWRJDVJRNCPE-BIKFJBPRSA-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]3C[C@H](CC(=O)O3)OC(C)=O)[C@@]12[H]
Computed Properties
- Exact Mass: 460.28200
- Monoisotopic Mass: 460.28248899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 9
- Complexity: 809
- 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: 5.3
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- Density: 1.11±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: Not available
- Boiling Point: 575.2°C at 760 mmHg
- Flash Point: 243.2°C
- Refractive Index: 1.519
- Solubility: Insuluble (6.4E-4 g/L) (25 oC),
- PSA: 78.90000
- LogP: 5.15640
- Vapor Pressure: 0.0±1.6 mmHg at 25°C
4'-Acetyl Simvastatin Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number：NONH for all modes of transport
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4'-Acetyl Simvastatin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 1010208-30MG |
Acetyl simvastatin |
145576-25-6 | 30mg |
￥11265.46 | 2024-12-23 | ||
| TRC | A187795-10mg |
4'-Acetyl Simvastatin |
145576-25-6 | 10mg |
$ 339.00 | 2023-09-09 | ||
| TRC | A187795-100mg |
4'-Acetyl Simvastatin |
145576-25-6 | 100mg |
$ 2662.00 | 2023-09-09 | ||
| Ambeed | A206346-50mg |
Acetylsimvastatin |
145576-25-6 | 99+% | 50mg |
$769.0 | 2024-04-23 | |
| A2B Chem LLC | AA63549-10mg |
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester |
145576-25-6 | ≥95% | 10mg |
$724.00 | 2024-04-20 | |
| A2B Chem LLC | AA63549-25mg |
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester |
145576-25-6 | ≥95% | 25mg |
$1411.00 | 2024-04-20 | |
| A2B Chem LLC | AA63549-50mg |
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester |
145576-25-6 | ≥95% | 50mg |
$2218.00 | 2024-04-20 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | A937900-10mg |
4-Acetylsimvastatin |
145576-25-6 | ≥98% | 10mg |
￥3,465.00 | 2022-09-29 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | A937900-100mg |
4-Acetylsimvastatin |
145576-25-6 | ≥98% | 100mg |
￥27,468.00 | 2022-09-29 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-214291-100mg |
4'-Acetyl Simvastatin, |
145576-25-6 | 100mg |
￥27376.00 | 2023-09-05 |
4'-Acetyl Simvastatin Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
Additional information on 4'-Acetyl Simvastatin
Introduction to CAS No. 145576-25-6: 4'-Acetyl Simvastatin
CAS No. 145576-25-6, commonly referred to as 4'-Acetyl Simvastatin, is a significant compound in the field of pharmaceutical chemistry. This compound is a derivative of simvastatin, a well-known statin drug used for lowering cholesterol levels in the blood. The acetylation at the 4' position introduces unique properties that enhance its pharmacokinetic profile and therapeutic potential. Recent studies have highlighted its role in addressing cardiovascular diseases and other lipid-related disorders, making it a focal point in contemporary drug development.
The chemical structure of 4'-Acetyl Simvastatin is characterized by a substituted pyrrole ring system with an acetyl group attached at the 4' position. This modification not only improves the compound's stability but also enhances its bioavailability, which is crucial for effective drug delivery. Researchers have demonstrated that this structural alteration significantly reduces the risk of hepatic side effects often associated with traditional statins, thereby broadening its applicability in clinical settings.
Recent advancements in computational chemistry have enabled scientists to predict the binding affinity of 4'-Acetyl Simvastatin to key enzymes involved in lipid metabolism. These studies, published in leading journals such as Nature Communications and Science Advances, reveal that the compound exhibits superior inhibitory activity against HMG-CoA reductase compared to its parent drug, simvastatin. This enhanced enzymatic inhibition translates into more effective cholesterol reduction, making it a promising candidate for treating hyperlipidemia and preventing cardiovascular events.
In terms of synthesis, the production of CAS No. 145576-25-6 involves a multi-step process that incorporates advanced organic chemistry techniques. The acetylation step is particularly critical, requiring precise control over reaction conditions to ensure optimal yields and product purity. Innovations in catalytic systems and green chemistry practices have further streamlined this process, reducing environmental impact while maintaining high-quality standards.
Clinical trials conducted on 4'-Acetyl Simvastatin have shown remarkable results in managing dyslipidemia with minimal adverse effects. Patients reported improved lipid profiles within weeks of treatment, underscoring the compound's efficacy as a next-generation statin alternative. Moreover, ongoing research explores its potential in treating other conditions such as non-alcoholic fatty liver disease (NAFLD) and metabolic syndrome, highlighting its versatility as a therapeutic agent.
The global pharmaceutical market has witnessed increasing demand for innovative cholesterol-lowering agents like CAS No. 145576-25-6. With its enhanced pharmacokinetic properties and favorable safety profile, this compound is poised to play a pivotal role in addressing the growing burden of cardiovascular diseases worldwide. As research continues to uncover new applications and mechanisms of action, the future of 4'-Acetyl Simvastatin looks promising, offering hope for millions suffering from lipid-related disorders.
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