Name | 4-Acetylamino-N-(2'-aminophenyl)benzamide |
Synonyms | CI 994 C.I. 994 Tacedinaline acetyldinaline N-Acetyldinaline CI994 (Tacedinaline) Cl-994(Tacedinalin,N-Acetyldinalin) 4-AcetaMido-N-(2-aMinophenyl)benzaMide 4-Acetylamino-N-(2'-aminophenyl)benzamide Benzamide, 4-(acetylamino)-N-(2-aminophenyl)- |
CAS | 112522-64-2 |
EINECS | 200-256-5 |
InChI | InChI=1/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) |
InChIKey | VAZAPHZUAVEOMC-UHFFFAOYSA-N |
Molecular Formula | C15H15N3O2 |
Molar Mass | 269.3 |
Density | 1.322±0.06 g/cm3(Predicted) |
Melting Point | 216.1 °C |
Boling Point | 450.6±30.0 °C(Predicted) |
Flash Point | 226.3°C |
Solubility | Soluble in DMSO |
Vapor Presure | 2.6E-08mmHg at 25°C |
Appearance | White-like powder |
Color | off-white |
pKa | 13.15±0.70(Predicted) |
Storage Condition | Keep in dark place,Inert atmosphere,2-8°C |
Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month. |
Sensitive | Air Sensitive |
Refractive Index | 1.707 |
MDL | MFCD00866266 |
In vitro study | In A- 549 and LX-1 cells, CI-994(< 160 mM) showed an inhibitory effect on cell growth, accompanied by an increase in G0/G1 phase, A decrease in S phase, and an increase in apoptosis. CI-994 inhibit the growth of LNCaP cells, the IC50 was 7.4 μm. CI-994 is active against several tumor cell lines, with higher cytotoxicity against solid tumors relative to leukemia and normal fibroblast cell lines. CI-994 inhibit the growth of rat leukemic BCLO cells with an IC50 of 2.5 μm. |
In vivo study | CI-994 has demonstrated antitumor activity against several tumor models, including chemotherapy-resistant mice with pancreatic ductal carcinoma, and a human prostate tumor model, LNCaP. |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36 - Irritating to the eyes |
Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
RTECS | CU8702023 |
biological activity | CI994 (Tacedinaline) is an anticancer drug that inhibits HDAC1,IC50 is 0.57 μM, and the cell cycle is stagnated in G1 phase. Phase 3. Tacedinaline (CI994, PD-123654, GOE-5549, Acetyldinaline) is a selective type I HDAC inhibitor with IC50 of 0.9, 0.9, 1.2, and> 20 μM for HDAC 1, 2, 3, and 8, respectively. Phase 3. |
Target | Value |
HDAC1 (Cell-free assay) | 0.9 μM |
HDAC2 (Cell-free assay) | 0.9 μM |
HDAC3 (Cell-free assay) | 1.2 μM |