CAS Number112522-64-2
SynonymsTacedinaline; 4-Acetamido-N-(2-aminophenyl)benzamide; 4-(Acetylamino)-N-(2-aminophenyl)benzamide; Goe 5549; N-acetyldinaline; Acetyldinaline; Tacedinalina; CI994; CI-994
Molecular FormulaC15H15N3O2
Molecular Weight269.30
Purity≥98 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point450.6±30.0 °C at 760 mmHg
Melting Point242 °C(dec.)
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 112522-64-2 |
| Catalog No. | 2A-9050658 |
| Chinese Name | 4-乙酰氨基-N-(2'-氨基苯基)-苯甲酰胺 |
| Synonyms | Tacedinaline; 4-Acetamido-N-(2-aminophenyl)benzamide; 4-(Acetylamino)-N-(2-aminophenyl)benzamide; Goe 5549; N-acetyldinaline; Acetyldinaline; Tacedinalina; CI994; CI-994 |
| Molecular Formula | C15H15N3O2 |
| Molecular Weight | 269.30 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 450.6±30.0 °C at 760 mmHg |
| Melting Point | 242 °C(dec.) |
| Appearance | powder |
| Storage Condition | 0-10°C; avoid heating |
| Application | CI-994 (Tacedinaline) is an inhibitor of histone deacetylase (HDAC). The IC50 values for inhibiting recombinant HDAC 1, 2 and 3 are 0.9, 0.9, and 1.2 μM respectively. |
| HTC | 2924299090 |
| PubChem ID | 329774808 |
| MDL Number | MFCD00866266 |
| SMILES | CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N |
| InChI | 1S/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) |
| InChI Key | VAZAPHZUAVEOMC-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/50658_1_112522_64_2.pdf |
| Bioactivity | CI-994 (Tacedinaline) is an inhibitor of the histone deacetylase (HDAC) with IC50s of 0.9, 0.9, 1.2 μM for recombinant HDAC 1, 2 and 3 respectively. Related Catalog Research Areas >> Cancer Target HD1:0.9 μM (IC50) HD2:0.9 μM (IC50) HD3:1.2 μM (IC50) In Vitro CI-994 (N-acetyldinaline) is a novel oral compound with a wide spectrum of antitumor activity in preclinical models. The mechanism of action may involve inhibition of histone deacetylation and cell cycle arrest. CI-994 is combined with antineoplastic agents commonly used in non-small cell lung cancer cell line management, a marked synergism of action (R=1.8, R=1.5) is observed between CI-994 (40 μM) and gemcitabine (0.01 μM) at 48 and 72 h of treatment[2].CI-994 inhibits mitogen-stimulated blood lymphocyte proliferation with an IC50 value of 3 μM[4]. In Vivo CI-994 has activity against 8/8 solid tumors tested: pancreatic ductal adenocarcinoma #02 (4.7); pancreatic adenocarcinoma #03 (3.0; 1/6 cures); colon adenocarcinoma #38 (1.6); colon adenocarcinoma #51/A (1.1); mammary adenocarcinoma #25 (1.7); mammary adenocarcinoma #17/ADR (0.5); Dunning osteogenic sarcoma (4.0); and the human prostate carcinoma LNCaP (1.2). CI-994 is the acetylated metabolite of dinaline and has the same spectrum of activity in vivo as dinaline. It also behaves similarly in schedule comparison/toxicity trials[3]. CI-994 can effect lymphoid tissue in rats within 1 day of a single oral dose, that effects are generally reversible within 7 days[4]. Animal Admin Rats: To characterize the effects of CI-994 on lymphoid tissue, male rats are administered single oral doses at 0 (vehicle control), 10, 23, and 45 mg/kg and killed up to 7 days after dosing for evaluation of white blood cell differentials, bone marrow differentials, lymphoid tissue weights, and selected histopathology of lymphoid tissue[4]. References [1]. Moradei OM, et al. Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. J Med Chem. 2007 Nov 15;50(23):5543-6. [2]. Loprevite M, etal. In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines. Oncol Res. 2005;15(1):39-48. [3]. LoRusso PM, et al. Preclinical antitumor activity of CI-994. Invest New Drugs. 1996;14(4):349-56. [4]. Graziano MJ, et al. Immunotoxicity of the anticancer drug CI-994 in rats: effects on lymphoid tissue. Arch Toxicol. 1999 Apr-May;73(3):168-74. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 450.6±30.0 °C at 760 mmHg Melting Point 242 °C(dec.) Molecular Formula C15H15N3O2 Molecular Weight 269.298 Flash Point 226.3±24.6 °C Exact Mass 269.116425 PSA 84.22000 LogP 0.96 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.707 InChIKey VAZAPHZUAVEOMC-UHFFFAOYSA-N SMILES CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1 |
| Use of | CI-994 (Tacedinaline) is an inhibitor of the histone deacetylase (HDAC) with IC50s of 0.9, 0.9, 1.2 μM for recombinant HDAC 1, 2 and 3 respectively. Properties Articles25 Name 4-acetamido-N-(2-aminophenyl)benzamide Synonym More Synonyms CI-994 Biological Activity Description CI-994 (Tacedinaline) is an inhibitor of the histone deacetylase (HDAC) with IC50s of 0.9, 0.9, 1.2 μM for recombinant HDAC 1, 2 and 3 respectively. Related Catalog Research Areas >> Cancer HD1:0.9 μM (IC50) HD2:0.9 μM (IC50) HD3:1.2 μM (IC50) In Vitro CI-994 (N-acetyldinaline) is a novel oral compound with a wide spectrum of antitumor activity in preclinical models. The mechanism of action may involve inhibition of histone deacetylation and cell cycle arrest. CI-994 is combined with antineoplastic agents commonly used in non-small cell lung cancer cell line management, a marked synergism of action (R=1.8, R=1.5) is observed between CI-994 (40 μM) and gemcitabine (0.01 μM) at 48 and 72 h of treatment[2].CI-994 inhibits mitogen-stimulated blood lymphocyte proliferation with an IC50 value of 3 μM[4]. References [1]. Moradei OM, et al. Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. J Med Chem. 2007 Nov 15;50(23):5543-6. [2]. Loprevite M, etal. In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines. Oncol Res. 2005;15(1):39-48. [3]. LoRusso PM, et al. Preclinical antitumor activity of CI-994. Invest New Drugs. 1996;14(4):349-56. [4]. Graziano MJ, et al. Immunotoxicity of the anticancer drug CI-994 in rats: effects on lymphoid tissue. Arch Toxicol. 1999 Apr-May;73(3):168-74. Chemical & Physical Properties Molecular Formula C15H15N3O2 Exact Mass 269.116425 PSA 84.22000 Index of Refraction 1.707 InChIKey VAZAPHZUAVEOMC-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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