Temozolomide-8-carboxylic acid
Temozolomide-8-carboxylic acid structure
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Common Name | Temozolomide-8-carboxylic acid | ||
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| CAS Number | 113942-30-6 | Molecular Weight | 195.136 | |
| Density | 2.0±0.1 g/cm3 | Boiling Point | 487.7±37.0 °C at 760 mmHg | |
| Molecular Formula | C6H5N5O3 | Melting Point | 177 ºC (decomp) | |
| MSDS | N/A | Flash Point | 248.7±26.5 °C | |
Use of Temozolomide-8-carboxylic acidTemozolomide acid is a carboxylic acid derivative of Temozolomide. Temozolomide is a DNA alkylating agent, methylating the guanine and adenine bases of DNA, causing breaks in DNA double strand, cell cycle arrest, and eventually cell death. Temozolomide acid has an activity similar to the parent compound Temozolomide with the same anticancer activity[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
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| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Temozolomide acid is a carboxylic acid derivative of Temozolomide. Temozolomide is a DNA alkylating agent, methylating the guanine and adenine bases of DNA, causing breaks in DNA double strand, cell cycle arrest, and eventually cell death. Temozolomide acid has an activity similar to the parent compound Temozolomide with the same anticancer activity[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 2.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 487.7±37.0 °C at 760 mmHg |
| Melting Point | 177 ºC (decomp) |
| Molecular Formula | C6H5N5O3 |
| Molecular Weight | 195.136 |
| Flash Point | 248.7±26.5 °C |
| Exact Mass | 195.039246 |
| PSA | 102.38000 |
| LogP | -1.46 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.860 |
| InChIKey | VVTMIOYTNALQAW-UHFFFAOYSA-N |
| SMILES | Cn1nnc2c(C(=O)O)ncn2c1=O |
| Storage condition | 2-8°C |
| Water Solubility | Slightly soluble (4.3 g/L) (25 ºC) |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Temozolomide-8-... CAS#:113942-30-6 |
| Literature: Wang, Yongfeng; Lambert, Peter; Zhao, Linxiang; Wang, Danni European Journal of Medicinal Chemistry, 2002 , vol. 37, # 4 p. 323 - 332 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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: Modulation of human Nur77 LBD transiently transfected in HEK293T cells at 100 to 200 ...
Source: ChEMBL
Target: Nuclear receptor subfamily 4immunitygroup A member 1
External Id: CHEMBL5392231
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
| 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid |
| Temozolomideacid |
| Temozolomide-8-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: LogP of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid is -1.46. |
| Q: What is the InChIKey of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: InChIKey of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid is VVTMIOYTNALQAW-UHFFFAOYSA-N. |
| Q: What is the English name of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: The English name of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid is 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid. |
| Q: What are the uses of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: Main uses of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid: Temozolomide acid is a carboxylic acid derivative of Temozolomide. Temozolomide is a DNA alkylating agent, methylating the guanine and adenine bases of DNA, causing breaks in DNA double strand, cell cycle arrest, and eventually cell death. Temozolomide acid has an activity similar to the parent compound Temozolomide with the same anticancer activity[1]. |
| Q: What is the SMILES notation of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: SMILES notation of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid is Cn1nnc2c(C(=O)O)ncn2c1=O. |
| Q: What are the upstream materials of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: Related upstream materials(CAS) of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid: 85622-93-1. |
| Q: How is the water solubility of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: Water solubility of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid: Slightly soluble (4.3 g/L) (25 ºC). |
| Q: What is the CAS number of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: CAS number of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid is 113942-30-6. |
| Q: What English synonyms does 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid have? |
| A: English synonyms of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid: 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid, 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid, Temozolomideacid, Temozolomide-8-carboxylic acid. |
| Q: What is the boiling point of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid? |
| A: Boiling point of 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid is 487.7±37.0 °C at 760 mmHg. |
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. |