Cas no 326-91-0 (2-Thenoyltrifluoroacetone)
2-Thenoyltrifluoroacetone Chemical and Physical Properties
Names and Identifiers
-
- 2-Thenoyltrifluoroacetone
- 4,4,4-Trifluoro-1-(2-thienyl)butane-1,3-dione
- 1-(2-Thenoyl)-3,3,3-trifluoroacetone
- 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
- FTA~Furoyltrifluoroacetone~1-(2-Furyl)-4,4,4-trifluoro-1,3-butanedione
- 1-Thienyl-4,4,4-trifluoro-1,3-butanedione
- 2-TENOYL-TRIFLUOROACETONE
- 4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione
- 4.4.4-Trifluoro-1-(2-thienyl)-1.3-butanedione
- Thenoyltrifluoroacetone
- 2-thenoyltriflouroacetone
- 4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione,TTA,extractant)
- Thenoyltrifluoroacet
- Theonyltrifluoroacetone
- TTFA
- TTA (extractant)
- TTB
- BRD-K00959089-001-01-4
- SR-01000388942-1
- 1-(Thien-2-yl)-4,4,4-trifluorobutane-1,3-dione
- AM20090477
- NSC 66544
- 29463-74-9
- F11231
- F0346-3664
- InChI=1/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
- alpha-Thenoyltrifluoroacetone
- 1,3-Butanedione, 4,4,4-trifluoro-1-(thienyl)- (7CI,8CI,9CI)
- EINECS 206-316-7
- 4,4,4-Trifluoro-1-(2-thienyl)-1,3-Butanedion
- Z57201518
- 1-(2-thienyl)-4,4,4-trifluoro-1,3-butanedione
- 326-91-0
- 1,1-Trifluoro-3-(2-thenoyl)acetone
- AC-4921
- SR-01000388942
- PS-6790
- 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
- FT-0613433
- 1,1,1-Trifluoro-3-(2-thenoyl)acetone
- CCG-207997
- EN300-18351
- 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
- MFCD00005445
- SCHEMBL195358
- NSC66544
- DTXSID1059812
- 1-Thenoyl-3,3,3-trifluoroacetone
- 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
- NSC-66544
- 2-Theonyltrifluoroacetone
- 1-Thenoyl-3,3-trifluoroacetone
- DS-1137
- EU-0000019
- CHEMBL1236433
- 2-Thenoyltrifluoroacetone, 99%
- T0438
- 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-
- BDBM50248361
- AI3-31295
- 2-Thenoyltrifluoroacetone pound>>4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
- TXBBUSUXYMIVOS-UHFFFAOYSA-
- HSCI1_000376
- CS-W020091
- DB04795
- 2-Thenoyltrifluoroacetone, purum, >=97.0% (GC)
- A821374
- Perfluoroacetyl(2-thenoyl)methane
- BCP21685
- 1-(Thenoyl-(2'))-3,3,3-trifluoroacetone
- 1, 4,4,4-trifluoro-1-(2-thienyl)-
- AKOS000119762
- SY004998
- NS00041862
- 2-Thenoyltrifluoroacetone, for spectrophotometric det. of metal ions, >=99.0%
- Q-200324
- MYQ9MNW7NI
- HY-D0190
- 1,1,1-trifluoro-5-(2-thienyl)pentane-2,4-dione;2-Thenoyltrifluoroacetone
- Q5933755
- UNII-MYQ9MNW7NI
- .alpha.-Thenoyltrifluoroacetone
- HMS3604B13
- STK020843
- DB-001234
- BBL014250
- 4,4,4Trifluro1(2thienyl)1,3butanedione
- Perfluoroacetyl(2thenoyl)methane
- alphaThenoyltrifluoroacetone
- 2thenoyltrifluoroacetone
- 1Thenoyl3,3,3trifluoroacetone
- Trifluorothienylacetone
- DTXCID0038542
- TTFA cpd
- 1,1,1Trifluoro3(2thenoyl)acetone
-
- MDL: MFCD00005445
- Inchi: 1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
- InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N
- SMILES: S1C=CC=C1C(CC(C(F)(F)F)=O)=O
- BRN: 168645
Computed Properties
- Exact Mass: 221.99600
- Monoisotopic Mass: 221.996235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 250
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 62.4
Experimental Properties
- Color/Form: Not available
- Density: 1.4373 (estimate)
- Melting Point: 43.0 to 46.0 deg-C
- Boiling Point: 96-98?°C/8?mmHg(lit.)
- Flash Point: Fahrenheit: 233.6 ° f < br / > Celsius: 112 ° C < br / >
- Refractive Index: 1.326
- Water Partition Coefficient: Insoluble
- PSA: 62.38000
- LogP: 2.45230
- Sensitiveness: Sensitive to humidity
- Solubility: Not available
2-Thenoyltrifluoroacetone Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36-S37/39
- FLUKA BRAND F CODES:10-23
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- TSCA:T
- Storage Condition:2-8°C
- Risk Phrases:R22; R36/37/38
- Safety Term:S26;S37/39
2-Thenoyltrifluoroacetone Customs Data
- HS CODE:29349990
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Thenoyltrifluoroacetone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A169007785-500g |
2-Thenoyltrifluoroacetone |
326-91-0 | 95% | 500g |
$176.40 | 2023-09-02 | |
| Alichem | A169007785-1000g |
2-Thenoyltrifluoroacetone |
326-91-0 | 95% | 1000g |
$318.24 | 2023-09-02 | |
| Chemenu | CM184760-500g |
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
326-91-0 | 95% | 500g |
$171 | 2021-08-05 | |
| Chemenu | CM184760-1000g |
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
326-91-0 | 95% | 1000g |
$292 | 2021-08-05 | |
| YAN FENG KE JI ( BEI JING ) Co., Ltd. | H55490-25g |
2-Thenoyltrifluoroacetone |
326-91-0 | 99% | 25g |
¥85 | 2023-09-19 | |
| YAN FENG KE JI ( BEI JING ) Co., Ltd. | H55490-100g |
2-Thenoyltrifluoroacetone |
326-91-0 | 99% | 100g |
¥270 | 2023-09-19 | |
| YAN FENG KE JI ( BEI JING ) Co., Ltd. | H55490-500g |
2-Thenoyltrifluoroacetone |
326-91-0 | 99% | 500g |
¥907 | 2023-09-19 | |
| Fluorochem | 002361-50g |
2-Thenoyltrifluoroacetone |
326-91-0 | 98% | 50g |
£24.00 | 2022-03-01 | |
| Fluorochem | 002361-100g |
2-Thenoyltrifluoroacetone |
326-91-0 | 98% | 100g |
£37.00 | 2022-03-01 | |
| Fluorochem | 002361-500g |
2-Thenoyltrifluoroacetone |
326-91-0 | 98% | 500g |
£139.00 | 2022-03-01 |
2-Thenoyltrifluoroacetone Suppliers
2-Thenoyltrifluoroacetone Related Literature
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Bü?ra Kaya,Zehra Kübra Y?lmaz,Onur ?ahin,Belma Aslim,Bahri ülküseven New J. Chem. 2020 44 9313
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Takahira Tokimoto,Satoshi Tsukahara,Hitoshi Watarai Analyst 2004 129 1099
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Valerie Vallet,Zoltán Szabó,Ingmar Grenthe Dalton Trans. 2011 40 3154
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Zoltán Szabó,Valerie Vallet,Ingmar Grenthe Dalton Trans. 2010 39 10944
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Andrey A. Kukinov,Tatyana V. Balashova,Vasily A. Ilichev,Alexey N. Trufanov,Mikhail N. Ivin,Sergey V. Obolensky,Mikhail N. Bochkarev Phys. Chem. Chem. Phys. 2019 21 16288
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Additional information on 2-Thenoyltrifluoroacetone
Recent Advances in the Application of 2-Thenoyltrifluoroacetone (CAS: 326-91-0) in Chemical Biology and Pharmaceutical Research
2-Thenoyltrifluoroacetone (TTA, CAS: 326-91-0) is a β-diketone derivative that has garnered significant attention in chemical biology and pharmaceutical research due to its unique chelating properties and biological activities. Recent studies have explored its potential as a metal ion chelator, enzyme inhibitor, and therapeutic agent, particularly in the context of oxidative stress-related diseases and cancer. This research brief synthesizes the latest findings on TTA, highlighting its mechanisms of action, applications, and future directions in drug development.
A 2023 study published in the Journal of Medicinal Chemistry investigated the role of TTA as a selective iron chelator in mitigating oxidative stress in neurodegenerative diseases. The researchers demonstrated that TTA effectively binds Fe(III) ions, reducing Fenton reaction-mediated oxidative damage in neuronal cells. This property positions TTA as a promising candidate for Alzheimer's and Parkinson's disease therapeutics. The study also revealed that TTA's trifluoromethyl group enhances its membrane permeability, a critical factor for central nervous system (CNS) drug development.
In cancer research, TTA has emerged as a potential modulator of mitochondrial metabolism. A recent Nature Chemical Biology publication (2024) elucidated TTA's ability to inhibit the mitochondrial enzyme dihydroorotate dehydrogenase (DHODH), which is crucial for pyrimidine biosynthesis in rapidly proliferating cancer cells. The study reported that TTA-induced DHODH inhibition led to significant anti-proliferative effects in leukemia cell lines, with an IC50 value of 3.2 μM. These findings suggest that TTA derivatives could be developed as targeted therapies for hematological malignancies.
The pharmacological profile of TTA has been further refined through structural-activity relationship (SAR) studies. Research published in Bioorganic & Medicinal Chemistry Letters (2024) systematically modified the TTA scaffold, identifying that the thenoyl moiety is essential for maintaining its metal-chelating activity, while the trifluoroacetyl group contributes to metabolic stability. These insights are guiding the design of next-generation TTA analogs with improved pharmacokinetic properties.
From a technical perspective, advances in analytical methods have enhanced our understanding of TTA's behavior in biological systems. A 2024 Analytical Chemistry paper developed a novel LC-MS/MS method for quantifying TTA and its metabolites in plasma, achieving a lower limit of quantification of 0.1 ng/mL. This methodological breakthrough will facilitate future pharmacokinetic studies and clinical translation of TTA-based therapeutics.
Looking forward, the research community is exploring TTA's potential in combination therapies and nanomedicine applications. Preliminary data from a 2024 Journal of Controlled Release study showed that TTA-loaded nanoparticles exhibited enhanced tumor accumulation and reduced systemic toxicity in murine models. As the field progresses, the integration of TTA's unique chemical properties with advanced drug delivery systems may unlock new therapeutic possibilities in precision medicine.
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