CAS Number120-21-8
SynonymsMFCD00003382; 4-Diethylaminobenzaldehyde; 4-Diethylaminobenzoaldehyde; 4-(Diethylamino)benzaldehyde; EINECS 204-377-4; p-(Diethylamino)benzaldehyde; 4-(Diethylamino)-Benzaldehyde
Molecular Formula(C2H5)2NC6H4CHO
Molecular Weight177.24
Purity99%
Density1.0±0.1 g/cm3
Boiling Point174 °C/7 mmHg (lit.)
Melting Point37-41 °C (lit.)
Appearancecrystals
EINECS204-377-4
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 120-21-8 |
| Catalog No. | 2A-9019073 |
| Chinese Name | N,N-二乙基-4-氨基苯甲醛 |
| Synonyms | MFCD00003382; 4-Diethylaminobenzaldehyde; 4-Diethylaminobenzoaldehyde; 4-(Diethylamino)benzaldehyde; EINECS 204-377-4; p-(Diethylamino)benzaldehyde; 4-(Diethylamino)-Benzaldehyde |
| Molecular Formula | (C2H5)2NC6H4CHO |
| Molecular Weight | 177.24 |
| Purity | 99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 174 °C/7 mmHg (lit.) |
| Melting Point | 37-41 °C (lit.) |
| Appearance | crystals |
| Water Solubility | insoluble |
| Storage Condition | Store sealed in a cool, dry place. Make sure the w |
| Application | 4-Diethylaminobenzaldehyde is a reversible inhibitor of aldehyde dehydrogenases (ALDHs) with a Ki of 4 nM for ALDH1. 4-Diethylaminobenzaldehyde has strong antiandrogenic effects (IC50= 1.71 μM). |
| EINECS | 204-377-4 |
| HTC | 2922399090 |
| PubChem ID | 24894106 |
| MDL Number | MFCD00003382 |
| SMILES | [H]C(=O)c1ccc(cc1)N(CC)CC |
| InChI | 1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3 |
| InChI Key | MNFZZNNFORDXSV-UHFFFAOYSA-N |
| Beilstein/REAXYS | 511102 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/19073_1_120_21_8.pdf |
| Bioactivity | 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 |
| Use of | 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]. Properties Articles11 Name 4-(diethylamino)benzaldehyde Synonym More Synonyms 4-Diethylaminobenzaldehyde Biological Activity 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 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 Molecular Formula C11H15NO Exact Mass 177.115356 PSA 20.31000 Index of Refraction 1.571 InChIKey MNFZZNNFORDXSV-UHFFFAOYSA-N Water Solubility insoluble |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available The company is not responsible for any damage caused by any operation or contact with the above products. For more terms of use, see invoice or package The reverse side of the mounting strip. |
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