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MPI_5a | 1259296-46-2
Product name：MPI_5a
CAS No：1259296-46-2
MF：C16H17N3O3
MW：299.324483633041
MDL：MFCD29770783
CID：4583103
MPI_ 5A is a highly potent \ selective HDAC6 inhibitor (ic50=36 nm) MPI_ 5A has a weak inhibitory effect on other HDAC enzymes MPI_ The IC50 value of 5A inhibiting the accumulation of intracellular acyl tubulin was 210 nm
- MPI_5a
- 1,2,3,4-Tetrahydro-N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-6-isoquinolinecarboxamide
- CS-2662
- MPI 5A
- MPI5A
- 6-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-
- N-Hydroxy-2-(1-methyl-1H-pyrrole-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
- MPI_5a,Histone deacetylases,tubulin,acyl,Inhibitor,selective,HDAC,accumulation,inhibit,isoform
- MDL：MFCD29770783
- InChIKey：NNQAQGDSGCGFER-UHFFFAOYSA-N
- Inchi：1S/C16H17N3O3/c1-18-7-2-3-14(18)16(21)19-8-6-11-9-12(15(20)17-22)4-5-13(11)10-19/h2-5,7,9,22H,6,8,10H2,1H3,(H,17,20)
- SMILES：C1C2=C(C=C(C(NO)=O)C=C2)CCN1C(C1=CC=CN1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Rotatable Bond Count: 4
- Heavy Atom Count: 22
Experimental Properties
- Solubility: Very slightly soluble (0.19 g/l) (25 º C),
- Density: 1.34±0.1 g/cm3 (20 ºC 760 Torr),
- 1. Shifting the paradigm in treating multi-factorial diseases: polypharmacological co-inhibitors of HDAC6 Alexandria M. Chan,Steven Fletcher RSC Med. Chem. 2021 12 178
- 2. Next-generation of selective histone deacetylase inhibitors Feifei Yang,Na Zhao,Di Ge,Yihua Chen RSC Adv. 2019 9 19571
- 3. Synthesis of potent and selective HDAC6 inhibitors led to unexpected opening of a quinazoline ring Davide Moi,Andrea Citarella,Davide Bonanni,Luca Pinzi,Daniele Passarella,Alessandra Silvani,Clelia Giannini,Giulio Rastelli RSC Adv. 2022 12 11548
- 4. 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
- 5. 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
- 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. Novel histone deacetylase 6 inhibitors using benzimidazole as caps for cancer treatment Phuong Hong Nguyen,Bui Thi Buu Hue,Minh Quan Pham,Tran Phuong Hoa,Quang De Tran,Hosun Jung,Le Trong Hieu,Nguyen Cuong Quoc,Hong Vinh Quang,Nguyen Phu Quy,Hye Jin Yoo,Su-Geun Yang New J. Chem. 2023 47 7622
- 8. 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
- 9. In silico design of novel benzohydroxamate-based compounds as inhibitors of histone deacetylase 6 based on 3D-QSAR, molecular docking, and molecular dynamics simulations Han Chu,Qing-xiu He,Juan Wang,Yong Hu,Yuan-qiang Wang,Zhi-hua Lin New J. Chem. 2020 44 21201
- 10. Identification of mercaptoacetamide-based HDAC6 inhibitors via a lean inhibitor strategy: screening, synthesis, and biological evaluation Silke Geurs,Dorien Clarisse,Freya Baele,Jorick Franceus,Tom Desmet,Karolien De Bosscher,Matthias D'hooghe Chem. Commun. 2022 58 6239
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Amadis Chemical Company Limited
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ZheJiang，China(CAS:1259296-46-2)MPI_5a
A997347in Stock/in Stock/in Stock/in Stock99%/99%/99%/99%50mg/100mg/250mg/1gInquiry/Inquiry/Inquiry/Inquiry30 August 2024Amadis Chemical Company Limited
Contact & Address Information
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Phone: 18658880036
Web: https://www.amadischem.com/
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1.2001 mg (16.7 mm * 200 μl in acetonitrile) 100mg 10mg 10mM*1mLinDMSO 1g 1mg 1mg(16.7mM*200μLinAcetonitrile) 200mg 250mg 25mg 2mg 5.15 mg (16.7 mm * 1 ml in acetonitrile) 500µg 500ug 500μg 50mg 5mg 5mg(16.7mM*1mLinAcetonitrile)+ multiple choice
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| Brand:selleck | Supplier:Selleck中国 | ||||||
|---|---|---|---|---|---|---|---|
| No. | Purity | Stock | Specification | Price | update time | operate | |
| S0379-25mg | 现货 | 25mg | ￥24382.19 | 26 Apr. 2022 | |||
| S0379-5mg | 现货 | 5mg | ￥8330.18 | 26 Apr. 2022 | |||
| Brand:chemenu | Supplier:Chemenu | ||||||
|---|---|---|---|---|---|---|---|
| No. | Purity | Stock | Specification | Price | update time | operate | |
| CM262713-1g | 97% | 1-2 Weeks | 1g | $1603 | 02 Mar. 2022 | ||
| CM262713-250mg | 97% | 1-2 Weeks | 250mg | $682 | 02 Mar. 2022 | ||
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