ChemicalBook CAS DataBase List 849234-64-6

849234-64-6

Name	4-acetamido-N-(2-amino-5-(thiophen-2-yl)phenyl)benzamide
CAS	849234-64-6
Molecular Formula	C19H17N3O2S
MDL Number	MFCD16495786
Molecular Weight	351.42
MOL File	849234-64-6.mol

Chemical Properties

storage temp.	Store at -20°C
solubility	DMSO: soluble
form	A solid
color	Off-white to gray
InChI	1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
InChIKey	ABZSPJVXTTUFAA-UHFFFAOYSA-N
SMILES	CC(NC1=CC=C(C(NC2=C(N)C=CC(C3=CC=CS3)=C2)=O)C=C1)=O

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

BRD-6929 is a potent, selective brain-penetrant inhibitor of class I histone deacetylase HDAC1 and HDAC2 inhibitor with IC50 of 1 nM and 8 nM, respectively. BRD-6929 shows high-affinity to HDAC1 and HDAC2 with Ki of 0.2 and 1.5 nM, respectively. BRD-6929 can be used for mood-related behavioral model research[3].

Definition

ChEBI: 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is a member of benzamides.

Biological Activity

TPB is a potent and selective inhibitor of HDAC1 and HDAC2. TPB potentiates gnidimacrin activation of latent HIV-1 in cells.

in vivo

BRD-6929 (intraperitoneal injection; 45 mg/kg; single dose) exhibits a C_max, T_1/2 and AUC values of 17.7 μM, 7.2 hours, and 25.6 μM/L*hr, respectively in plasma. It shows a C_max, T_1/2 and AUC values of 0.83 μM, 6.4 hours, and 3.9 μM/L*hr, respectively in brain^[1].BRD-6929 (intraperitoneal injection; 45 mg/kg; 10 days) acts as a deacetylase inhibitor in mouse brain. It significantly increases acetylation in each brain region by 1.5- to 2.0-fold compared to vehicle. The western blotting reveals that BRD-6929 significantly increases acetylation of histone H2B (tetra-acetylated), H3K9 and H4K12 in cortex, ventral striatum and hippocampus after the 10th daily treatment in adult male C57BL/6J mice^[1].

IC 50

HDAC1: 1 nM (IC₅₀); HDAC2: 8 nM (IC₅₀); HDAC3: 458 nM (IC₅₀); HIV-1

References

[1] Li-Huei Tsai, et al. Inhibition of hdac2 to promote memory. patent/US20120101147
[2] Schroeder FA, et al. A selective HDAC 1/2 inhibitor modulates chromatin and gene expression in brain and altersmouse behavior in two mood-related tests. PLoS One. 2013 Aug 14;8(8):e71323. DOI:10.1371/journal.pone.0071323
[3] Huang L, et al. Elimination of HIV-1 Latently Infected Cells by Gnidimacrin and a Selective HDAC Inhibitor. ACS Med Chem Lett. 2018 Feb 6;9(3):268-273. DOI:10.1021/acsmedchemlett.8b00012

Spectrum Detail

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