Isocarboxazid
Isocarboxazid structure
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Common Name | Isocarboxazid | ||
|---|---|---|---|---|
| CAS Number | 59-63-2 | Molecular Weight | 231.251 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 394.5±42.0 °C at 760 mmHg | |
| Molecular Formula | C12H13N3O2 | Melting Point | 98-100ºC | |
| MSDS | N/A | Flash Point | 192.4±27.9 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of IsocarboxazidIsocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1]. |
Summary: Chinese name: Isocarboxazid, English name: Isocarboxazid, CAS number: 59-63-2, molecular formula: C12H13N3O2, molecular weight: 231.251. 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 | N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1]. |
|---|---|
| Related Catalog | |
| Target |
IC50: 4.8 μM (rat brain monoamine oxidase)[1]. |
| In Vivo | Isocarboxazid (1, 3 mg/kg, i.p., 60 min) pretreatment in mice shows the significant increased number of head twitches at 15 and 30 min after 5-HTP[2]. Isocarboxazid (1, 3 mg/kg, i.p., 60 min) treatment in mice together with 5-HTP administration causes 43% 5-HT concentration increased and 22% of 5-HIAA decreased compared to brain concentrations in mice given 5-HTP alone[2]. Animal Model: Twelve male mice of dd strain (20-25 g)[2] Dosage: 0, 0.3,1, 3 mg/kg Administration: Intraperitoneally 60 min before intravenous injection of 5-HTP Result: The number of head twitches at 15 and 30 min after 5-HTP was increased. 43% 5-HT concentration increased and 22% of 5-HIAA decreased. |
| 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 | 394.5±42.0 °C at 760 mmHg |
| Melting Point | 98-100ºC |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.251 |
| Flash Point | 192.4±27.9 °C |
| Exact Mass | 231.100784 |
| PSA | 67.16000 |
| LogP | 1.03 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.573 |
| InChIKey | XKFPYPQQHFEXRZ-UHFFFAOYSA-N |
| SMILES | Cc1cc(C(=O)NNCc2ccccc2)no1 |
| Storage condition | -20°C Freezer |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 |
| Precautionary Statements | Missing Phrase - N15.00950417 |
| RIDADR | UN 3249 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Isocarboxazid CAS#:59-63-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 46, # 5 p. 909 - 913 |
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Isocarboxazid CAS#:59-63-2 |
| Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 |
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Isocarboxazid CAS#:59-63-2 |
| Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 |
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Isocarboxazid CAS#:59-63-2 |
| Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 |
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Isocarboxazid CAS#:59-63-2 |
| Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 US2908688 , ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:491594-42-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
Source: Broad Institute
Target: N/A
External Id: 2084-01_Activator_SinglePoint_HTS_Activity
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Name: Counterscreen for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberc...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: GDH-TPI_INH_ABS_1536_1X%INH CSRUN
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Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
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Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303805
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Name: Inhibition of cell viability relative to arbidol control (inhibition index > 1 indica...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303819
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| isocarboxazide |
| Benazide |
| 5-Methyl-isoxazol-3-carbonsaeure-(N'-benzyl-hydrazid) |
| Marplan |
| Isocarboxazidum |
| N'-Benzyl-5-methylisoxazol-3-carbohydrazid |
| Isocarboxazida |
| 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide |
| N'-benzyl-5-méthylisoxazole-3-carbohydrazide |
| Isocarbonazid |
| Isocarboxazid |
| N'-benzyl-5-methylisoxazole-3-carbohydrazide |
| N-Benzyl-N'-<5-methyl-isoxazol-3-yl>-carbonyl-hydrazin |
| Isocarbossazide |
| N'-Benzyl-5-methyl-1,2-oxazole-3-carbohydrazide |
| Isocarboxyzid |
| Enerzer |
| 5-methyl-isoxazole-3-carboxylic acid-(N'-benzyl-hydrazide) |
| isocarboxacid |
| 5-methyl-N'-(phenylmethyl)isoxazole-3-carbohydrazide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: Boiling point of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is 394.5±42.0 °C at 760 mmHg. |
| Q: What is the LogP of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: LogP of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is 1.03. |
| Q: What are the uses of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: Main uses of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide: Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1]. |
| Q: What is the melting point of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: Melting point of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is 98-100ºC. |
| Q: What is the CAS number of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: CAS number of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is 59-63-2. |
| Q: What is the SMILES notation of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: SMILES notation of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNCc2ccccc2)no1. |
| Q: What is the polar surface area (PSA) of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: Polar surface area (PSA) of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is 67.16000. |
| Q: What is the molecular weight of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: Molecular weight of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is 231.251. |
| Q: What is the InChIKey of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: InChIKey of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is XKFPYPQQHFEXRZ-UHFFFAOYSA-N. |
| Q: What is the molecular formula of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide? |
| A: Molecular formula of N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide is C12H13N3O2. |
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. |