Aldi-6
Aldi-6 structure
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Common Name | Aldi-6 | ||
|---|---|---|---|---|
| CAS Number | 2138-34-3 | Molecular Weight | 256.13900 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H14BrNO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of Aldi-6A novel small molecule ALDH inhibitor with IC50 of 600 nM, 800 nM and 1000 nM for ALDH1A1, ALDH2, and ALDH3A1, respectively. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C11H14BrNO |
|---|---|
| Molecular Weight | 256.13900 |
| Exact Mass | 255.02600 |
| PSA | 20.31000 |
| LogP | 2.58350 |
| InChIKey | RSRQDUSONVRSMB-UHFFFAOYSA-N |
| SMILES | CN(C)CCC(=O)c1ccc(Br)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2922399090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~73%
Aldi-6 CAS#:2138-34-3 |
| Literature: Stocking, Emily M.; Miller, Jennifer M.; Barbier, Ann J.; Wilson, Sandy J.; Boggs, Jamin D.; McAllister, Heather M.; Wu, Jiejun; Lovenberg, Timothy W.; Carruthers, Nicholas I.; Wolin, Ronald L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 11 p. 3130 - 3135 |
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~%
Aldi-6 CAS#:2138-34-3 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 18 p. 5567 - 5571 |
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Aldi-6 CAS#:2138-34-3 |
| Literature: Journal of the Chemical Society, , p. 4092 - 4096 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 4 | |
CAS#:41910-98-9
CAS#:56775-88-3
CAS#:99217-20-6
CAS#:60324-67-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary screen in NF54 nanoGlo assay, in single point, at 2uM, 72h
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL4888485
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Dimethylamino-1-<4-brom-phenyl>-propan-1-on |
| HMS1473K21 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the uses of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: Main uses of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one: A novel small molecule ALDH inhibitor with IC50 of 600 nM, 800 nM and 1000 nM for ALDH1A1, ALDH2, and ALDH3A1, respectively. |
| Q: What is the SMILES notation of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: SMILES notation of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)c1ccc(Br)cc1. |
| Q: What is the LogP of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: LogP of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is 2.58350. |
| Q: What is the Chinese name of 2138-34-3? |
| A: Chinese name of 2138-34-3 is 2138-34-3. |
| Q: What is the CAS number of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: CAS number of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is 2138-34-3. |
| Q: What is the molecular formula of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: Molecular formula of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is C11H14BrNO. |
| Q: What is the molecular weight of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: Molecular weight of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is 256.13900. |
| Q: What are the downstream products of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: Related downstream products(CAS) of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one: 41910-98-9;56775-88-3;99217-20-6;60324-67-6. |
| Q: What are the upstream materials of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: Related upstream materials(CAS) of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one: 50-00-0;506-59-2;99-90-1;1826-67-1;124-40-3;192436-83-2. |
| Q: What is the English name of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one? |
| A: The English name of 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |