ChemicalBook--->CAS DataBase List--->144707-18-6

144707-18-6

144707-18-6 Structure

144707-18-6 Structure
IdentificationBack Directory
[Name]

2-D08
[CAS]

144707-18-6
[Synonyms]

2-D08
2-D08 >=98% (HPLC)
4H-1-Benzopyran-4-one, 2-(2,3,4-trihydroxyphenyl)-
[Molecular Formula]

C15H10O5
[MOL File]

144707-18-6.mol
[Molecular Weight]

270.24
Chemical PropertiesBack Directory
[Boiling point ]

517.9±50.0 °C(Predicted)
[density ]

1.548±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

≥74.6 mg/mL in DMSO; ≥1.76 mg/mL in EtOH with gentle warming and ultrasonic; insoluble in H2O
[form ]

powder
[pka]

7.45±0.40(Predicted)
[color ]

white to beige
[InChI]

1S/C15H10O5/c16-10-6-5-9(14(18)15(10)19)13-7-11(17)8-3-1-2-4-12(8)20-13/h1-7,16,18-19H
[InChIKey]

JJAXTFSPCLZPIW-UHFFFAOYSA-N
[SMILES]

[o]1c2c([c](cc1c3c(c(c(cc3)O)O)O)=O)cccc2
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2932990090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-D08 has been used as a small ubiquitin-like modifier (SUMO)ylation inhibitor.
[Biological Activity]

2-d08 (2’,3’,4’-trihydroxyflavone) is a sumoylation inhibitor.protein sumoylation is a dynamic posttranslational modification involved in various biological processes, such as cellular homeostasis and development. sumoylation has been reported to play a key role in cancer, though so far there are few small molecule probes available.
[Biochem/physiol Actions]

2-D08 is a potent and cell-permeable inhibitor of sumoylation that block the transfer of SUMO (small ubiquitin-like modifier) from the E2 enzyme (Ubc9) thioester conjugate to the substrate.
[Synthesis]

4H-1-Benzopyran-4-one, 2-(2,3,4-trimethoxyphenyl)-

7143-46-6

2-D08

144707-18-6

General procedure for the synthesis of 2',3',4'-trihydroxyflavones using the compound (CAS: 7143-46-6) as starting material: flavone 13 (100 mg, 0.32 mmol, 1.0 equiv) was dissolved in 12 mL of dichloromethane. Boron tribromide (BBr3, 1.067 mL, 6.4 mmol, 20 eq.) was slowly added to the solution at room temperature and the reaction mixture was stirred for 48 hours. Upon completion of the reaction, the mixture was slowly poured into ice water and the precipitate formed was collected by filtration. The crude product was purified by fast column chromatography to afford 2',3',4'-trihydroxyflavone as a yellow amorphous solid (40 mg, 46% yield). The structure of the product was confirmed by the following characterization data: 1H NMR (400 MHz, DMSO-d6) δ: 10.02 (brs, 1H), 9.55 (brs, 1H), 8.89 (brs, 1H), 8.01 (dd, 1H, J = 1.5, 7.6 Hz), 7.78 (dt, 1H, J = 2.0, 7.6 Hz), 7.69 (d, 1H, J = 8.5 Hz), 7.45 (t, 1H, J = 7.5 Hz), 7.34 (d, 1H, J = 8.9 Hz), 7.11 (s, 1H), 6.54 (d, 1H, J = 9.0 Hz).13C NMR (125 MHz, DMSO-d6) δ: 117.5, 161.8, 156.1, 149.7 , 147.5, 134.2, 133.5, 123.4, 125.0, 123.6, 119.3, 118.6, 110.3, 109.5, 108.1. high-resolution mass spectrometry (HRMS) calculated value ([M + H]+) 271.0601, measured value 271.0597.

[in vitro]

2-d08 was identified as a cell permeable, mechanistically unique inhibitor of protein sumoylation. this compound was found to be able to block sumoylation of topoisomerase i in two different cancer cell lines when co-dosed with camptothecin. in addition, futher analyses indicated that 2-d08 inhibited sumoylation via preventing transfer of small ubiquitin-like modifier (sumo) from the ubc9-sumo thioester to the substrate without affecting sumo-activating enzyme e1 (sae-1/2) or e2 ubc9-sumo thioester formation, a mechanism of action that was unprecedented before [1]. moreover, it was found that 2-d08 at 100 μm could effectively inhibit 10 μm camptothecin induced topoisomerase i sumoylation in breast cancer without affecting overall cellular protein ubiquitinations [2].
[IC 50]

Axl
[storage]

4°C, protect from light
[References]

[1] kim ys, keyser sg, schneekloth js jr. synthesis of 2',3',4'-trihydroxyflavone (2-d08), an inhibitor of protein sumoylation. bioorg med chem lett. 2014 feb 15;24(4):1094-7.
[2] kim ys, nagy k, keyser s, schneekloth js jr. an electrophoretic mobility shift assay identifies a mechanistically unique inhibitor of protein sumoylation. chem biol. 2013 apr 18;20(4):604-13.
Spectrum DetailBack Directory
[Spectrum Detail]

2-D08(144707-18-6)1HNMR
144707-18-6 suppliers list
Company Name: Shanghai Weijiahe Biotechnology Co., Ltd  Gold
Telephone: 17502176150; 17502176150
Website:
Company Name: Nanjing Dulai Biotechnology Co., Ltd.  
Telephone: 025-84699383-8003;025-846993838003-8003 18013301590
Website: http://www.njduly.com
Company Name: ShangHai Caerulum Pharma Discovery Co., Ltd.  
Telephone: 18149758185 18149758185
Website: www.caerulumpharma.com
Company Name: Sigma-Aldrich  
Telephone: 021-61415566 800-8193336
Website: https://www.sigmaaldrich.cn
Company Name: Pharmacodia (Beijing) Co.,Ltd  
Telephone: +86-400-851-9921
Website: www.pharmacodia.com
Company Name: Shanghai EFE Biological Technology Co., Ltd.  
Telephone: 021-65675885 18964387627
Website: http://www.efebio.com
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 18916372613
Website: www.shyuanye.com
Company Name: Shanghai Rechem science Co., Ltd.  
Telephone: 021-31433387 15618786686
Website: http://cn.rechemscience.com
Company Name: Shanghai Chaolan Chemical Technology Center  
Telephone: QQ:65489617 13301690235
Website: www.atkchemical.com/
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Company Name: Lynnchem  
Telephone: 86-(0)29-85992781 17792393971
Website: http://www.lynnchem.com/
Company Name: Tianjin Zhongcheng Mingyuan Technology Co., Ltd.  
Telephone: 13302022156
Website: https://www.chemicalbook.com/ShowSupplierProductsList30619/0_EN.htm
Company Name: Shanghai Medicil Biomedical Co., Ltd.  
Telephone: 021-50822001
Website: www.chemicalbook.com/ShowSupplierProductsList30881/0_EN.htm
Company Name: Guangzhou Tomums Life Science Co., Ltd.  
Telephone: 020-31155029 18902330969
Website: http://www.tomums.cn/
Company Name: Taizhou Crene Biotechnology Co. Ltd.  
Telephone: +86-0576-88813233 +86-13396860566
Website: http://www.pharm-intermediates.com
Company Name: HANGZHOU CLAP TECHNOLOGY CO.,LTD  
Telephone: 86-571-88216897,88216896 13588875226
Website: www.hzclap.com/en
Company Name: Shanghai Dongyang Biotechnology Co., Ltd.  
Telephone: 0512-13601744364 13601744364
Website: https://www.chemicalbook.com/ShowSupplierProductsList1201937/0_EN.htm
Company Name: Changzhou Chenhong Biotechnology Co., Ltd.  
Telephone: +86-0519-85788828 +86-13775037613
Website: http://www.chemrenblock.com/
Tags:144707-18-6 Related Product Information
14813-20-8 1621-84-7 78417-26-2 33554-52-8