Cas no 148553-50-8 ((S)-Pregabalin)
(S)-Pregabalin Chemical and Physical Properties
Names and Identifiers
-
- pregabalin
- 3-(aminomethyl)-5-methyl-hexanoic acid
- Pregablin
- (3S)-3-(aminomethyl)-5-methyl-hexanoic acid
- (R-)-3-isobutyl GABA
- 3-isobutyl GABA
- CI 1008
- CI-1008
- Hexanoic acid
- 3-(aminomethyl)-5-methyl-(3S)-Hexanoic acid
- 3-(aminomethyl)-5-methyl-(S)-Lyrica
- PD 144723
- PD-144723
- Pregabalin [USAN]
- TOS-BB-0910
- Pregabalin intermediate
- (S)-Pregabalin
- Pregabalin solution
- (S)-3-(Aminomethyl)-5-methylhexanoic acid
- (S)-3-(Aminomethyl)-5-methylhexanoic acid CI-1008 PD-144723
- (S)-Pregabalin (1.0 mg
- Lyrica
- PREDNISOLONESODIUMPHOSPHATE
- (R)-Pregabalin
- xiangxizhiliao
- LYRICA (pregabalin)
- 3(S)-(AMINOMETHYL)-5
- (S)-(+)-Pregabalin-d4
- Prebali
- 普瑞巴林
- (3S)-3-(aminomethyl)-5-methylhexanoic acid
- Hexanoic acid, 3-(aminomethyl)-5-methyl-, (3S)-
- (S)-3-Isobutyl GABA
- AYXYPKUFHZROOJ-ZETCQYMHSA-N
- 55JG375S6M
- Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-
- (S)-3-(Aminomethyl)-5-methylhexanoicacid
- Hexano
- China pregabalin crystal supplier
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- MDL： MFCD00917044
- Inchi： 1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
- InChI Key： AYXYPKUFHZROOJ-ZETCQYMHSA-N
- SMILES： O([H])C(C([H])([H])[C@@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
Computed Properties
- Exact Mass: 159.12600
- Monoisotopic Mass: 159.125929
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3
Experimental Properties
- Color/Form: Powder
- Density: 1.0±0.1 g/cm3
- Melting Point: 194-196°C
- Boiling Point: 274.0±23.0 °C at 760 mmHg
- Flash Point: 9℃
- Refractive Index: 1.464
- Solubility: deionized water: ≥10mg/mL
- PSA: 63.32000
- LogP: 1.78240
- Specific Rotation: D23 +10.52° (c = 1.06 in water)
- Color/Form: 10.0?mg/mL in water
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
- Solubility: deionized water: ≥10mg/mL
(S)-Pregabalin Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H225-H301 + H311 + H331-H370
- Warning Statement： P210-P260-P280-P301 + P310-P311
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：1
- Hazard Category Code： 63-48/22-39/23/24/25-23/24/25-11
- Safety Instruction： 22-36/37-45-16-7
-
Hazardous Material Identification：
- Storage Condition：2-8°C
(S)-Pregabalin Customs Data
- HS CODE：2915900090
- Customs Data：
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
(S)-Pregabalin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| YUN NAN XI LI SHENG WU JI SHU GU FEN Co., Ltd. | BBP80367-5mg |
Pregabalin |
148553-50-8 | 98.0% | 5mg |
￥100 | 2021-05-07 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P125334-250mg |
(S)-Pregabalin |
148553-50-8 | ≥98.0% | 250mg |
￥29.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P125334-5g |
(S)-Pregabalin |
148553-50-8 | ≥98.0% | 5g |
￥96.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P125334-1g |
(S)-Pregabalin |
148553-50-8 | ≥98.0% | 1g |
￥30.90 | 2023-09-01 | |
| ChemFaces | CFN90013-20mg |
Pregabalin |
148553-50-8 | >=98% | 20mg |
$100 | 2021-07-22 | |
| DC Chemicals | DCAPI1473-100 mg |
Pregabalin |
148553-50-8 | 100mg |
$200.0 | 2022-02-28 | ||
| DC Chemicals | DCAPI1473-250 mg |
Pregabalin |
148553-50-8 | 250mg |
$400.0 | 2022-02-28 | ||
| DC Chemicals | DCAPI1473-1 g |
Pregabalin |
148553-50-8 | 1g |
$800.0 | 2022-02-28 | ||
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0611599431-250mg |
(S)-Pregabalin |
148553-50-8 | 98% | 250mg |
￥ 29.1 | 2024-07-20 | |
| Axon Medchem | 1823-10 mg |
Pregabalin |
148553-50-8 | 98% | 10mg |
€85.00 | 2023-07-10 |
(S)-Pregabalin Suppliers
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(S)-Pregabalin Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
Additional information on (S)-Pregabalin
Recent Advances in (S)-Pregabalin Research: Insights from Chemical and Pharmacological Studies
The compound (S)-Pregabalin (CAS: 148553-50-8) has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potent pharmacological properties. As a gamma-aminobutyric acid (GABA) analog, (S)-Pregabalin is widely recognized for its efficacy in treating neuropathic pain, epilepsy, and generalized anxiety disorder. Recent studies have focused on optimizing its synthesis, understanding its mechanism of action at the molecular level, and exploring its potential applications in novel therapeutic areas.
A groundbreaking study published in the Journal of Medicinal Chemistry (2023) elucidated the stereoselective synthesis of (S)-Pregabalin, highlighting the importance of chiral purity in enhancing its therapeutic efficacy. The research team employed asymmetric hydrogenation techniques to achieve high enantiomeric excess (ee) of (S)-Pregabalin, thereby minimizing the presence of the less active (R)-enantiomer. This advancement not only improves the cost-effectiveness of large-scale production but also ensures consistent pharmacological performance.
In parallel, a 2024 study in Neuropharmacology investigated the molecular interactions of (S)-Pregabalin with the α2δ subunit of voltage-gated calcium channels. Using cryo-electron microscopy (cryo-EM), researchers visualized the binding pocket of (S)-Pregabalin, revealing novel insights into its modulatory effects on neurotransmitter release. These findings provide a structural basis for designing next-generation analogs with enhanced selectivity and reduced side effects.
Furthermore, clinical trials conducted in 2023-2024 have expanded the therapeutic scope of (S)-Pregabalin. A Phase IIb trial demonstrated its potential in managing fibromyalgia, with patients reporting significant pain reduction and improved quality of life. Another exploratory study suggested its neuroprotective effects in traumatic brain injury (TBI) models, opening avenues for repurposing this well-established drug.
Despite these advancements, challenges remain in optimizing the pharmacokinetic profile of (S)-Pregabalin. Recent pharmacokinetic studies have identified variability in absorption rates among different patient populations, prompting investigations into novel formulation strategies such as nanocrystal technology and prodrug approaches. These innovations aim to enhance bioavailability and reduce dosing frequency.
In conclusion, the latest research on (S)-Pregabalin (148553-50-8) underscores its enduring relevance in medicinal chemistry and neuroscience. The integration of synthetic chemistry, structural biology, and clinical research continues to unlock new dimensions of this versatile therapeutic agent. Future directions may include combinatorial therapies and personalized medicine approaches tailored to individual patient pharmacogenomics.
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