3-Chlorogentisyl alcohol
3-Chlorogentisyl alcohol structure
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Common Name | 3-Chlorogentisyl alcohol | ||
|---|---|---|---|---|
| CAS Number | 32744-80-2 | Molecular Weight | 174.58200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H7ClO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of 3-Chlorogentisyl alcohol3-Chlorogentisyl alcohol is a potent E. coli β-glucuronidase inhibitor with an IC50 value of 0.74 µM, an Ki value of 0.58 µM. 3-Chlorogentisyl alcohol shows antiproliferative activity. 3-Chlorogentisyl alcohol has the potential for the research of anti-cancer and anti-inflammatory therapies[1]. |
Summary: Chlorogentisyl alcohol (Chinese name: 氯对苯二酚醇, CAS number: 32744-80-2, molecular formula: C7H7ClO3, molecular weight: 174.58200) is for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | chlorogentisyl alcohol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 3-Chlorogentisyl alcohol is a potent E. coli β-glucuronidase inhibitor with an IC50 value of 0.74 µM, an Ki value of 0.58 µM. 3-Chlorogentisyl alcohol shows antiproliferative activity. 3-Chlorogentisyl alcohol has the potential for the research of anti-cancer and anti-inflammatory therapies[1]. |
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| Related Catalog | |
| Target |
IC50: 0.74 µM (β-glucuronidase)[1] |
| In Vitro | 3-Chlorogentisyl alcohol (compound 1) (20 µM; 24 h) shows antiproliferative activity in Namalwa, U266 cells[1]. Cell Proliferation Assay[1] Cell Line: Namalwa, U266 cells Concentration: 20 µM Incubation Time: 24 h Result: Showed antiproliferative activity with the viability rate of 70.40% and 94.08% in Namalwa, U266 cells, respectively. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C7H7ClO3 |
|---|---|
| Molecular Weight | 174.58200 |
| Exact Mass | 174.00800 |
| PSA | 60.69000 |
| LogP | 1.32750 |
| InChIKey | GUIGFYWMQAYTBT-UHFFFAOYSA-N |
| SMILES | OCc1cc(O)cc(Cl)c1O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Chlorogentisy... CAS#:32744-80-2 |
| Literature: McCorkindale,N.J. et al. Tetrahedron, 1972 , vol. 28, p. 1107 - 1111 |
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3-Chlorogentisy... CAS#:32744-80-2 |
| Literature: McCorkindale,N.J. et al. Tetrahedron, 1972 , vol. 28, p. 1107 - 1111 |
|
~%
3-Chlorogentisy... CAS#:32744-80-2 |
| Literature: McCorkindale,N.J. et al. Tetrahedron, 1972 , vol. 28, p. 1107 - 1111 |
|
~%
3-Chlorogentisy... CAS#:32744-80-2 |
| Literature: McCorkindale,N.J. et al. Tetrahedron, 1972 , vol. 28, p. 1107 - 1111 |
|
~%
3-Chlorogentisy... CAS#:32744-80-2 |
| Literature: Sequin-Frey,M.; Tamm,C. Helvetica Chimica Acta, 1971 , vol. 54, # 3 p. 851 - 861 |
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~%
3-Chlorogentisy... CAS#:32744-80-2 |
| Literature: Sequin-Frey,M.; Tamm,C. Helvetica Chimica Acta, 1971 , vol. 54, # 3 p. 851 - 861 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antiproliferative activity against human U266B cells assessed as cell viability at 20...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5353057
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Name: Antiproliferative activity against human NAMALVA cells assessed as cell viability at ...
Source: ChEMBL
Target: NAMALVA
External Id: CHEMBL5353056
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Name: Cytotoxicity against human HT-29 cells after 3 days by sulforhodamine B assay
Source: ChEMBL
Target: HT-29
External Id: CHEMBL4119185
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Name: Cytotoxicity against human MCF7 cells after 3 days by sulforhodamine B assay
Source: ChEMBL
Target: MCF7
External Id: CHEMBL4119184
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Name: Non-competitive inhibition of Escherichia coli beta-glucuronidase assessed as reducti...
Source: ChEMBL
Target: Beta-glucuronidase
External Id: CHEMBL5353050
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Chlorgentisylalkohol |
| 3-Chlorogentisyl alcohol |
| 2,5-Dihydroxy-3-chlorobenzyl alcohol |
| 2-(Hydroxymethyl)-6-chlorohydroquinone |
| 6-Chlorogentisylalcohol |
| 2-Chloro-6-(hydroxymethyl)-1,4-benzenediol |
| 2-chloro-6-(hydroxymethyl)benzene-1,4-diol |
| 3-chloro-2,5-dihydroxy benzyl alcohol |
| AMUDOL |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 32744-80-2? |
| A: Chinese name of 32744-80-2 is 32744-80-2. |
| Q: What is the CAS number of chlorogentisyl alcohol? |
| A: CAS number of chlorogentisyl alcohol is 32744-80-2. |
| Q: What is the English name of chlorogentisyl alcohol? |
| A: The English name of chlorogentisyl alcohol is chlorogentisyl alcohol. |
| Q: What is the LogP of chlorogentisyl alcohol? |
| A: LogP of chlorogentisyl alcohol is 1.32750. |
| Q: What is the polar surface area (PSA) of chlorogentisyl alcohol? |
| A: Polar surface area (PSA) of chlorogentisyl alcohol is 60.69000. |
| Q: What are the uses of chlorogentisyl alcohol? |
| A: Main uses of chlorogentisyl alcohol: 3-Chlorogentisyl alcohol is a potent E. coli β-glucuronidase inhibitor with an IC50 value of 0.74 µM, an Ki value of 0.58 µM. 3-Chlorogentisyl alcohol shows antiproliferative activity. 3-Chlorogentisyl alcohol has the potential for the research of anti-cancer and anti-inflammatory therapies[1]. |
| Q: What English synonyms does chlorogentisyl alcohol have? |
| A: English synonyms of chlorogentisyl alcohol: 3-Chlorgentisylalkohol, 3-Chlorogentisyl alcohol, 2,5-Dihydroxy-3-chlorobenzyl alcohol, 2-(Hydroxymethyl)-6-chlorohydroquinone, 6-Chlorogentisylalcohol, 2-Chloro-6-(hydroxymethyl)-1,4-benzenediol, 2-chloro-6-(hydroxymethyl)benzene-1,4-diol, 3-chloro-2,5-dihydroxy benzyl alcohol, AMUDOL. |
| Q: What is the molecular formula of chlorogentisyl alcohol? |
| A: Molecular formula of chlorogentisyl alcohol is C7H7ClO3. |
| Q: What are the upstream materials of chlorogentisyl alcohol? |
| A: Related upstream materials(CAS) of chlorogentisyl alcohol: 35354-34-8;1084-96-4;5330-25-6;32744-83-5;615-67-8. |
| Q: What is the InChIKey of chlorogentisyl alcohol? |
| A: InChIKey of chlorogentisyl alcohol is GUIGFYWMQAYTBT-UHFFFAOYSA-N. |
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. |