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Tubastatin A Trifluoroacetic Acid Salt | 1239262-52-2
Productnaam:Tubastatin A Trifluoroacetic Acid Salt
CAS-nummer:1239262-52-2
MF:C20H21N3O2
MDL:MFCD20488052
CID:1011178
PubChem ID:50898504
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Composés associés
![2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole |](https://scimg.chem960.com/cas/220/6208-60-2.png "2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole |")
Naam en identificatie
Chemische en fysische eigenschappen
Beveiligingsinformatie
Gerelateerde literatuur
Naam en identificatie
- Tubastatin A
- Tubastatin A Trifluoroacetate
- Tubastatin A Trifluoroacetic Acid Salt
- N-Hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide 2,2,2-trifluoroacetate
- Tubastain A
- TUBASTANTIN A
- Tubastatin A (trifluoroacetate salt)
- Tubastatin A Trifluo
- [4-({2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}methyl)phenyl]formamido 2,2,2-trifluoroacetate
- N-hydroxy-4-({2-methyl-1H,3H,4H-pyrido[4,3-b]indol-5-yl}methyl)benzamide hydrochloride
- N-Hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5 -yl)methyl]benzamide
- TRIETHYLENETHIOPHOSPHORAMIDE,WHITE SOLID
- TUBASTATIN A HYDROCHLORIDE
- TUBASTATIN A_HCL
- TUBASTSTINA HCL
- N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-trifluoroacetate
- N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
- 2,2,2-trifluoroacetic acid
- N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-Trifluoroacetate
- N-Hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide hydrochloried
- N-Hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide TFA salt
- Tubastatin A TFA
- J-004997
- Tubastatin TFA salt
- Benzamide, N-hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, 2,2,2-trifluoroacetate (1:1)
- 1239262-52-2
- trifluoroacetic acid
- tubastatin A
- HY-13271B
- A890636
- Tubastatin A (TFA)
- D82920
- AKOS024465038
- CS-0007786
- AS-79588
- GLXC-10161
- S0709
- MFCD24873137
- N-Hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide2,2,2-trifluoroacetate
- DB-352571
- MDL：MFCD20488052
- InChIKey：AVAOVICSJJIYRZ-UHFFFAOYSA-N
- Inchi：InChI=1S/C20H21N3O2.C2HF3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;3-2(4,5)1(6)7/h2-9,25H,10-13H2,1H3,(H,21,24);(H,6,7)
- SMILES：O=C(NO)C1=CC=C(CN2C3=C(CN(C)CC3)C4=C2C=CC=C4)C=C1.O=C(O)C(F)(F)F
Chemische en fysische eigenschappen
Berekende eigenschappen
- Exacte massa:449.4g/mol
- Oppervlakte lading:0
- Aantal waterstofbonddonors:3
- Aantal waterstofbondacceptatoren:8
- Aantal draaibare bindingen:3
- Monoisotopische massa:449.156241g/mol
- Monoisotopische massa:449.156241g/mol
- Topologisch pooloppervlak:94.8Ų
- Zware atoomtelling:32
- Complexiteit:561
- Aantal isotopen atomen:0
- Gedefinieerd atoomstereocentrumaantal:0
- Ongedefinieerd atoomstereocentrumaantal:0
- Gedefinieerd stereocenter aantal obligaties:0
- Ongedefinieerd stereocenter aantal bindingen:0
- Aantal covalent gebonden eenheden:2
Experimentele eigenschappen
- LogboekP: 3.75860
- PSA: 94.80000
- Dichtheid: 1.3±0.1 g/cm3
Beveiligingsinformatie
- Veiligheidsinstructies：H303+H313+H333
- Gevaarverklaring：H303+H313+H333
- Waarschuwingsverklaring：P264+P280+P305+P351+P338+P337+P313
- Opslagvoorwaarde：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
- Signaalwoord：warning
Gerelateerde literatuur
-
1.Actin filaments play a primary role for structural integrity and viscoelastic response in cells
Alperen N. Ketene,Paul C. Roberts,Amanda A. Shea,Eva M. Schmelz,Masoud Agah Integr. Biol. 2012 4 540 - 2. Potent and selective HDAC6 inhibitory activity of N-(4-hydroxycarbamoylbenzyl)-1,2,4,9-tetrahydro-3-thia-9-azafluorenes as novel sulfur analogues of Tubastatin A Rob De Vreese,Tom Verhaeghe,Tom Desmet,Matthias D'hooghe Chem. Commun. 2013 49 3775
- 3. Synthesis and SAR assessment of novel Tubathian analogs in the pursuit of potent and selective HDAC6 inhibitors Rob De Vreese,Yves Depetter,Tom Verhaeghe,Tom Desmet,Veronick Benoy,Wanda Haeck,Ludo Van Den Bosch,Matthias D′hooghe Org. Biomol. Chem. 2016 14 2537
- 4. A highly HDAC6-selective inhibitor acts as a fluorescent probe Yi-Hsun Ho,Kuang-Jui Wang,Pei-Yun Hung,Yi-Sheng Cheng,Jia-Rong Liu,Sheang-Tze Fung,Pi-Hui Liang,Ji-Wang Chern,Chao-Wu Yu Org. Biomol. Chem. 2018 16 7820
- 5. Synthesis of benzothiophene-based hydroxamic acids as potent and selective HDAC6 inhibitors Rob De Vreese,Nicholas Van Steen,Tom Verhaeghe,Tom Desmet,Nadia Bougarne,Karolien De Bosscher,Veronick Benoy,Wanda Haeck,Ludo Van Den Bosch,Matthias D'hooghe Chem. Commun. 2015 51 9868
- 6. Rational design and diversity-oriented synthesis of peptoid-based selective HDAC6 inhibitors D. Diedrich,A. Hamacher,C. G. W. Gertzen,L. A. Alves Avelar,G. J. Reiss,T. Kurz,H. Gohlke,M. U. Kassack,F. K. Hansen Chem. Commun. 2016 52 3219
- 7. Shifting the paradigm in treating multi-factorial diseases: polypharmacological co-inhibitors of HDAC6 Alexandria M. Chan,Steven Fletcher RSC Med. Chem. 2021 12 178
- 8. Borinostats: solid-phase synthesis of carborane-capped histone deacetylase inhibitors with a tailor-made selectivity profile Christoph Selg,Andrea Sch?ler,Julian Schliehe-Diecks,Maria Hanl,Laura Sinatra,Arndt Borkhardt,Menyhárt B. Sárosi,Sanil Bhatia,Evamarie Hey-Hawkins,Finn K. Hansen Chem. Sci. 2021 12 11873
-
9.Assessment of the trifluoromethyl ketone functionality as an alternative zinc-binding group for selective HDAC6 inhibition
Yves Depetter,Silke Geurs,Flore Vanden Bussche,Rob De Vreese,Jorick Franceus,Tom Desmet,Olivier De Wever,Matthias D'hooghe Med. Chem. Commun. 2018 9 1011 - 10. Next-generation of selective histone deacetylase inhibitors Feifei Yang,Na Zhao,Di Ge,Yihua Chen RSC Adv. 2019 9 19571
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