Guvacine
Guvacine structure
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Common Name | Guvacine | ||
|---|---|---|---|---|
| CAS Number | 498-96-4 | Molecular Weight | 127.141 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 280.8±35.0 °C at 760 mmHg | |
| Molecular Formula | C6H10ClNO2 | Melting Point | 306 - 309 °C(lit.) | |
| MSDS | N/A | Flash Point | 123.6±25.9 °C | |
Use of GuvacineGuvacine, an alkaloid found in the nut of Areca catechu, is a potent GABA uptakp inhibitor. Guvacine inhibits rat GAT-1, rat GAT-2 and rat GAT-3 with IC50 values of 39 μM, 58 μM and 378 μM, respectively[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | guvacine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Guvacine, an alkaloid found in the nut of Areca catechu, is a potent GABA uptakp inhibitor. Guvacine inhibits rat GAT-1, rat GAT-2 and rat GAT-3 with IC50 values of 39 μM, 58 μM and 378 μM, respectively[1]. |
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| Related Catalog | |
| Target |
IC50: 39 μM (rat GAT-1), 58 μM (rat GAT-2), 378 μM (rat GAT-3), 14 μM (human GAT-1), 119 μM (huam GAT-3) and 1870 μM (human BGT-3)[1] |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 280.8±35.0 °C at 760 mmHg |
| Melting Point | 306 - 309 °C(lit.) |
| Molecular Formula | C6H10ClNO2 |
| Molecular Weight | 127.141 |
| Flash Point | 123.6±25.9 °C |
| Exact Mass | 127.063332 |
| PSA | 49.33000 |
| LogP | 0.72 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.518 |
| InChIKey | QTDZOWFRBNTPQR-UHFFFAOYSA-N |
| SMILES | O=C(O)C1=CCCNC1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 2 | |
CAS#:5435-00-7
CAS#:17210-51-4
CAS#:3518-88-5
CAS#:101599-56-8
CAS#:495-19-2
CAS#:300-08-3
CAS#:121661-86-7
CAS#:59-67-6
CAS#:614-18-6
CAS#:498-95-3
CAS#:108-99-6This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS to identify inhibitors of the New Delhi Metallo-beta-lactamase (NDM): assay vali...
Source: NCGC
External Id: adst_MBL_Abs_LOPAC_o1
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Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist
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Name: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2
Source: NCGC
Target: eyes absent homolog 2 isoform a [Homo sapiens]
External Id: EYA2477
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Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
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Name: Inhibitory activity against rat GABA transporter-2 (rGAT2)
Source: ChEMBL
Target: Sodium- and chloride-dependent GABA transporter 2
External Id: CHEMBL809055
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Name: qHTS Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2...
Source: NCGC
Target: ubiquitin carboxyl-terminal hydrolase 2 isoform a [Homo sapiens]
External Id: UBCH001
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Name: Percent inhibition of [3H]- Diazepam binding to GABA-A Benzodiazepine receptor of rat...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-3
External Id: CHEMBL650182
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dep...
Source: ChEMBL
Target: Sodium- and chloride-dependent GABA transporter 1
External Id: CHEMBL831438
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Name: qHTS assay for measurement of the activity of small molecule inhibitors on Zika virus...
Source: NCGC
Target: N/A
External Id: ZIK159
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2,5,6-Tetrahydro-pyridin-3-carbonsaeure |
| 1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid |
| 1,2,5,6-tetrahydropyridine-3-carboxylic acid |
| 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE |
| 3-Pyridinecarboxylic acid,1,2,5,6-tetrahydro |
| GUVACINE HYDROCHLORIDE |
| GUVACINE-HCL |
| 1,2,3,6-tetrahydropyridine-5-carboxylic acid |
| 1,2,5,6-Tetrahydronicotinic acid |
| Guvacine hydrochloride,1,2,5,6-Tetrahydropyridine-3-carboxylicacidhydrochloride |
| Guvacine |
| UNII:41538P325K |
| MFCD00055191 |
| 1,2,5,6-tetrahydro-pyridine-3-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of guvacine? |
| A: The English name of guvacine is guvacine. |
| Q: What is the melting point of guvacine? |
| A: Melting point of guvacine is 306 - 309 °C(lit.). |
| Q: What is the InChIKey of guvacine? |
| A: InChIKey of guvacine is QTDZOWFRBNTPQR-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of guvacine? |
| A: Polar surface area (PSA) of guvacine is 49.33000. |
| Q: What are the downstream products of guvacine? |
| A: Related downstream products(CAS) of guvacine: 498-95-3;108-99-6. |
| Q: What is the SMILES notation of guvacine? |
| A: SMILES notation of guvacine is O=C(O)C1=CCCNC1. |
| Q: What is the CAS number of guvacine? |
| A: CAS number of guvacine is 498-96-4. |
| Q: What is the molecular formula of guvacine? |
| A: Molecular formula of guvacine is C6H10ClNO2. |
| Q: What is the molecular weight of guvacine? |
| A: Molecular weight of guvacine is 127.141. |
| Q: What is the safety information for guvacine? |
| A: Safety information for guvacine: S26-S36. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |