Supplementary Data

Design, Synthesis and Biological Activity of

N-(3-substituted-phenyl)benzenesulfonamides

as Selective and Reversible LSD1 Inhibitors

Xiaoming Zha a,b, #, *, Liming Wu a, b, c, #, Siyuan Xu d, #, Fangxia Zou a,b, Jiayue Xi a,b,

Tianfang Ma a,b, Rongfeng Liu e, Yu-Chih Liu e, Dawei Deng b, Yueqing Gu b, Jinpei

Zhou c,*, Fei Lan d,*

a Jiangsu Key Laboratory of Drug Screening, State Key Laboratory of Natural

Medicines, b Department of Biochemical Engineering, c Department of Medicinal

Chemistry, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR

China.

d Laboratory of Epigenetics, Institute of Biochemical Sciences, Fudan University, 131

Dong’An Road, Shanghai 200032, PR China.

e Shanghai ChemPartner Co., Ltd., Zhangjiang Hi-Tech Park, Shanghai 201203, PR

China.

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1H NMR and 13C NMR of 2a-2i…………………..……………………………page S2-S10

HRMS of 2a-2i…………………..…………………………………………… page S11-S15

Determination of 2a-2i purities by RP-HPLC…………….…………..…..page S16-S21

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HRMS of 2a - 2i

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Table 1. HPLC analysis data of the nine tested compounds. The purities of

compounds were determined by the methods shown as below. The peak purity was

checked with UV spectra.

Equipment SHIMADZU LC2010

ColumnSHIMADZU Shim-Pack VP-ODS (150×4.6 mm, 5 µm particle

size)

Methods

a. CH3OH/H2O (0.1% TFA), 60% (v/v) of CH3OH gradient,

flow rate: 1.0 mL /min, calculated the relative purity of each

compound at 254 nm

b. CH3OH/H2O (0.1% TFA), 50% (v/v) of CH3OH gradient,

flow rate: 1.0 mL /min, calculated the relative purity of each

compound at 254 nm

Result

s

Compds Methods Retention time (min) Relative purity (%)

2a a 6.505 99.306

2b a 5.477 99.497

2c a 5.004 99.244

2d a 4.922 99.158

2e a 3.933 99.303

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2f a 4.221 96.882

2g a 3.187 98.194

2h b 6.575 99.937

2i b 8.638 98.213

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