91645-48-6

Upstream product

• 75-21-8 oxirane 
• 63450-84-0 methyl 4-aminobenzoate hydrochloride 
• 150-13-0 4-amino-benzoic acid 

Downstream Products

• 117821-33-7 4-benzoic acid 
• 125174-16-5 N-(4-Amino-butyl)-4-[bis-(2-chloro-ethyl)-amino]-benzamide 
• 87971-61-7 4-benzoic acid 
• 125174-14-3 N-<4-butyl>-4-benzamide 
• 125174-13-2 N-<4-butyl>-4-benzamide 
• 125174-12-1 N-<4-butyl>-4-benzamide 
• 125174-15-4 Methanesulfonic acid 2-[[4-(4-benzyloxycarbonylamino-butylcarbamoyl)-phenyl]-(2-methanesulfonyloxy-ethyl)-amino]-ethyl ester 
• 125173-78-6 N-[4-(Acridin-9-ylamino)-butyl]-4-[bis-(2-chloro-ethyl)-amino]-benzamide 
• 1141-37-3 4-{bis(2-chloroethyl)amino}benzoic acid 

Relevant academic research and scientific papers

Discovery of N-(2-aminophenyl)-4-(bis(2-chloroethyl)amino)benzamide as a potent histone deacetylase inhibitor

Inhibition of histone deacetylases (HDACs) has been an important emerging therapy for the treatment of multiple cancers. However, the application of HDAC inhibitors is restricted by the limited potency against solid tumors. In order to discover novel HDAC inhibitors with potent antitumor activities, nitrogen mustard group was introduced to the structure of CI994. The derived molecule N-(2-aminophenyl)-4-(bis(2-chloroethyl)amino) benzamide (NA) exhibited enzyme inhibitory pattern of class I selectivity with IC50 values of 95.2, 260.7, and 255.7 nM against HDAC1, HDAC2, and HDAC3, respectively. In the antiproliferative assay, NA exhibited 10.3-fold (2.66 μM) and 11.3-fold (1.73 μM) higher potency than did suberoylanilide hydroxamic acid (SAHA) (27.3 and 19.5 μM) in inhibition of A2780 and HepG2 cell growth, respectively. Further HepG2 cell-based cell cycle and apoptosis studies revealed that induction of the G2/M phase arrest and cell apoptosis contributes to the antitumor effects of NA. It is suggested that NA could be utilized as a lead compound in the development of bifunctional HDAC inhibitors for the treatment of solid tumors.

PARP Inhibitor - alkylated bifunctional molecule and preparation method and application thereof

The invention discloses a potent polyadenine diphosphate ribose polymerase inhibitor (Poly ADP-Ribose Polymerase). PARP) The inhibitors - are alkylated bifunctional molecules and the present invention relates to compounds having the structure of Formula I, and also to pharmaceutically acceptable salts and solvates thereof. The preparation method comprises the following steps: condensation of 5 - [(3,4 -dihydro -4 - oxo -1 - phthalazinyl) methyl] -2 -fluorobenzoic acid and N-Boc - piperazine condensation and after-deprotection Boc groups and finally performing condensation connection with a mustard group to obtain the compound shown I. The invention further relates to a pharmaceutical composition containing the compound of the formula I and a pharmaceutical use thereof, and can be used for treating tumors and other targets PARP or DNA. .

Discovery of N-(2-Amino-4-Fluorophenyl)-4-[bis-(2-Chloroethyl)-Amino]-Benzamide as a Potent HDAC3 Inhibitor

In discovery of HDAC inhibitors with improved activity and selectivity, fluorine substitution was performed on our previously derived lead compound. The synthesized molecules N-(2-amino-4-fluorophenyl)-4-[bis-(2-chloroethyl)-amino]-benzamide (FNA) exhibited class I (HDAC1, 2, and 3) selectivity in the in vitro enzymatic assay and especially potent against HDAC3 activity (IC50: 95.48 nM). The results of in vitro antiproliferative assay indicated that FNA exhibited solid tumor cell inhibitory activities with IC50 value of 1.30 μM against HepG2 cells compared with SAHA (17.25 μM). Moreover, the in vivo xenograft model study revealed that FNA could inhibit tumor growth with tumor growth inhibition (TGI) of 48.89% compared with SAHA (TGI of 48.13%). Further HepG2 cell–based apoptosis and cell cycle studies showed that promotion of apoptosis and G2/M phase arrest make contributions to the antitumor activity of FNA. In addition, drug combination results showed that 0.5 μM of FNA could improve the anticancer activity of taxol and camptothecin. The present studies revealed the potential of FNA utilized as a high potent lead compound for further discovery of isoform selective HDAC inhibitors.

Aryl nitrogen mustard type histone deacetylation enzyme inhibitor as well as preparation method thereof and application thereof

The invention discloses a powerful histone deacetylation enzyme inhibitor, relates to a compound with a structure as shown in formula I, various optical isomers thereof, a medically acceptable salt and a solvent compound. The invention further relates to a pharmaceutical composition comprising the compound with the structure as shown in formula I and the pharmaceutical purpose thereof. The powerful histone deacetylation enzyme inhibitor can effectively treat a disease with histone deacetylation enzyme activity abnormal expression. The formula is shown in the description.

Histone deacetylase inhibitor N-(2'-aminophenyl)-4-(bis(2-chloroethyl)amino)benzamide, preparation method and application thereof

Belonging to the technical field of medicinal chemistry, the invention in particular relates to a histone deacetylase inhibitor, a preparation method and application thereof. The invention provides a potent histone deacetylase inhibitor, the invention relates to a compound with a structural formula (I), and also relates to cis-trans isomers thereof, pharmaceutically acceptable salts, solvates and prodrugs. The invention also relates to a pharmaceutical composition containing the compound shown as structural formula (I) and pharmaceutical use thereof. The histone deacetylase inhibitor provided by the invention can effectively treat histone deacetylase activity abnormally expressed diseases.