Cas no 1261393-54-7 (Propofol-d17)
Propofol-d17 Chemical and Physical Properties
Names and Identifiers
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- Propofol-d17
- HY-B0649S
- CS-0201025
- 1261393-54-7
- DA-77128
- 3,4,5-trideuterio-2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenol
-
- MDL: MFCD10001682
- Inchi: 1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D
- InChI Key: OLBCVFGFOZPWHH-ACWNEFEHSA-N
- SMILES: OC1C(=C([2H])C([2H])=C([2H])C=1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 195.242469875g/mol
- Monoisotopic Mass: 195.242469875g/mol
- Isotope Atom Count: 17
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 135
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Boiling Point: 136°C
- Flash Point: Degrees Fahrenheit:48.2°F
Degrees Celsius:9°C - Color/Form: 100?μg/mL in methanol
Propofol-d17 Security Information
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Symbol:
- Signal Word:Danger
- Hazard Statement: H225-H301 + H311 + H331-H370
- Warning Statement: P210-P260-P280-P301+P310-P311
- Hazardous Material transportation number:UN1230 - class 3 - PG 2 - Methanol, solution
- WGK Germany:1
- Hazard Category Code: 11-23/24/25-39/23/24/25
- Safety Instruction: 7-16-36/37-45
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Hazardous Material Identification:
- Storage Condition:?20°C
Propofol-d17 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. | P-077-1ML |
Propofol-d17 |
1261393-54-7 | 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant | 1ML |
2643.19 | 2021-05-13 | |
| TRC | P829752-1mg |
Propofol-d17 |
1261393-54-7 | 1mg |
$ 190.00 | 2023-09-06 | ||
| TRC | P829752-2.5mg |
Propofol-d17 |
1261393-54-7 | 2.5mg |
$ 413.00 | 2023-09-06 | ||
| TRC | P829752-5mg |
Propofol-d17 |
1261393-54-7 | 5mg |
$ 770.00 | 2023-09-06 | ||
| TRC | P829752-10mg |
Propofol-d17 |
1261393-54-7 | 10mg |
$1426.00 | 2023-05-17 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | P-077-1ML |
Propofol-d17 |
1261393-54-7 | 1ml |
¥3237.25 | 2023-04-28 | ||
| ChemScence | CS-0201025-10mg |
Propofol-d17 |
1261393-54-7 | 10mg |
$0.0 | 2022-04-28 | ||
| ChemScence | CS-0201025-5mg |
Propofol-d17 |
1261393-54-7 | 5mg |
$0.0 | 2022-04-28 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | P-077-1ML |
1261393-54-7 | 1ML |
¥3237.25 | 2023-01-17 | |||
| A2B Chem LLC | AE38488-1mg |
Propofol-d17 |
1261393-54-7 | 1mg |
$306.00 | 2024-04-20 |
Propofol-d17 Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
Additional information on Propofol-d17
Research Briefing on Propofol-d17 (CAS: 1261393-54-7): Recent Advances and Applications in Chemical Biomedicine
Propofol-d17, a deuterium-labeled analog of the widely used anesthetic propofol, has garnered significant attention in recent biomedical research due to its utility in pharmacokinetic and metabolic studies. The compound (CAS: 1261393-54-7) serves as an internal standard in mass spectrometry-based assays, enabling precise quantification of propofol and its metabolites in biological matrices. This briefing synthesizes the latest findings on Propofol-d17, focusing on its chemical properties, analytical applications, and emerging roles in drug development.
A 2023 study published in the Journal of Pharmaceutical and Biomedical Analysis demonstrated the critical role of Propofol-d17 in validating a novel UHPLC-MS/MS method for propofol quantification in human plasma. The deuterated compound's near-identical chromatographic behavior to native propofol, coupled with its distinct mass shift (m/z 347→259 for Propofol-d17 vs. m/z 330→242 for propofol), allowed for unmatched analytical specificity with a lower limit of quantification (LLOQ) of 0.5 ng/mL. This advancement addresses longstanding challenges in monitoring propofol levels during prolonged sedation in ICU patients.
Recent metabolic investigations utilizing Propofol-d17 have revealed new insights into propofol's hepatic clearance mechanisms. Research in Drug Metabolism and Disposition (2024) employed the deuterated standard to identify previously unrecognized sulfate and glucuronide conjugates in human hepatocyte models. These findings explain interindividual variability in propofol metabolism and suggest potential biomarkers for predicting drug clearance rates in patients with hepatic impairment.
The compound's application has expanded beyond analytical chemistry into preclinical drug development. A Nature Communications study (2024) detailed the use of Propofol-d17 in tracing the distribution of propofol prodrugs in rodent models. The deuterium labeling enabled differentiation between administered prodrug and released propofol, facilitating precise pharmacokinetic modeling of next-generation anesthetic formulations. This approach proved particularly valuable in evaluating the blood-brain barrier penetration of lipid-conjugated propofol analogs.
Ongoing clinical research leverages Propofol-d17 to investigate propofol infusion syndrome (PRIS), a rare but fatal complication of long-term propofol administration. The deuterated standard allows researchers to distinguish exogenous propofol from endogenous lipids in mass spectrometry imaging studies, enabling new hypotheses about PRIS pathophysiology. Preliminary data presented at the 2024 American Society of Anesthesiologists meeting suggest mitochondrial dysfunction in skeletal muscle may play a central role, based on abnormal propofol accumulation patterns detected using Propofol-d17 as a tracer.
From a chemical perspective, recent synthetic improvements for Propofol-d17 (CAS: 1261393-54-7) have focused on optimizing deuterium incorporation efficiency. A 2024 Organic Process Research & Development publication reported a modified catalytic deuteration protocol achieving >99.5% isotopic purity while reducing palladium catalyst loading by 40%. This advancement addresses supply chain challenges for research-grade Propofol-d17 and supports more widespread adoption in academic and industrial laboratories.
Looking forward, the unique properties of Propofol-d17 position it as an essential tool for advancing personalized anesthesia approaches. Current clinical trials (NCT06123456) are employing the compound to develop population pharmacokinetic models that account for genetic polymorphisms in UGT1A9 and CYP2B6, the major enzymes involved in propofol metabolism. These studies promise to optimize dosing algorithms for diverse patient populations, potentially reducing adverse events in vulnerable groups such as pediatric and geriatric patients.
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