CAS 120-21-8|4-Diethylaminobenzaldehyde
| Common Name | 4-Diethylaminobenzaldehyde | ||
|---|---|---|---|
| CAS Number | 120-21-8 | Molecular Weight | 177.243 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 329.6±0.0 °C at 760 mmHg |
| Molecular Formula | C11H15NO | Melting Point | 37-41 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 110.2±12.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-(diethylamino)benzaldehyde |
|---|---|
| Synonym | More Synonyms |
4-Diethylaminobenzaldehyde BiologicalActivity
| Description | 4-Diethylaminobenzaldehyde is a reversible aldehyde dehydrogenases (ALDHs) inhibitor, with a Ki of 4 nM for ALDH1. 4-Diethylaminobenzaldehyde displays potent anti-androgenic effect (IC50= 1.71μM)[1][2]. |
|---|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Aldehyde Dehydrogenase (ALDH)Research Areas >>Cancer |
| In Vitro | 4-Diethylaminobenzaldehyde (DEAB) is reversible competitive inhibitor of ALDH1 (competitive with the aldehyde substrate) with a Ki value of 4 nM, and irreversibly inactivates ALDH7A1 via formation of a stable, covalent acyl-enzyme species[1]. The Temozolomide (TMZ)-resistant cell line LN18 is treated with a combination of TMZ and 4-Diethylaminobenzaldehyde for 10 days. As indicated by colony formation assay, the clonogenic capacity of LN18 cells exposed to TMZ in combination with 4-Diethylaminobenzaldehyde (DEAB) is significantly attenuated[3]. |
| References | [1]. Luo M, et al. Diethylaminobenzaldehyde is a covalent, irreversible inactivator of ALDH7A1. ACS Chem Biol. 2015 Mar 20;10(3):693-7. [2]. Araki N, et al. Screening for androgen receptor activities in 253 industrial chemicals by in vitro reporter gene assays using AR-EcoScreen cells. Toxicol In Vitro. 2005 Sep;19(6):831-42. |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 329.6±0.0 °C at 760 mmHg |
| Melting Point | 37-41 °C(lit.) |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.243 |
| Flash Point | 110.2±12.0 °C |
| Exact Mass | 177.115356 |
| PSA | 20.31000 |
| LogP | 2.87 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | MNFZZNNFORDXSV-UHFFFAOYSA-N |
| SMILES | CCN(CC)c1ccc(C=O)cc1 |
| Water Solubility | insoluble |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H312-H315-H319-H335 |
| Precautionary Statements | P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful;N:Dangerousfortheenvironment; |
| Risk Phrases | R21/22;R50/53 |
| Safety Phrases | S26-S36-S61-S60-S36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | CU5612850 |
| HS Code | 2922399090 |
Customs
| HS Code | 2922399090 |
|---|---|
| Summary | 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Benzaldehyde, 4-(diethylamino)- |
| MFCD00003382 |
| 4-Diethylaminobenzaldehyde |
| 4-Diethylaminobenzoaldehyde |
| 4-(Diethylamino)benzaldehyde |
| EINECS 204-377-4 |
| p-(Diethylamino)benzaldehyde |
| 4-(Diethylamino)-Benzaldehyde |
| Benzaldehyde, p-(diethylamino)- |
