CAS Number113942-30-6
Synonyms3-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
Molecular FormulaC6H5N5O3
Molecular Weight195.136
Purity98%%
Density2.0±0.1 g/cm3
Boiling Point487.7±37.0 °C at 760 mmHg
Melting Point177 ºC (decomp)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 113942-30-6 |
| Catalog No. | 2A-1170961 |
| Chinese Name | 替莫唑胺酸 |
| Synonyms | 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 |
| Molecular Formula | C6H5N5O3 |
| Molecular Weight | 195.136 |
| Purity | 98% |
| Density | 2.0±0.1 g/cm3 |
| Boiling Point | 487.7±37.0 °C at 760 mmHg |
| Melting Point | 177 ºC (decomp) |
| Water Solubility | Slightly soluble (4.3 g/L) (25 ºC) |
| Storage Condition | 2-8°C |
| Application | Temozolomide is a carboxylic acid derivative of temozolomide. Temozolomide is a DNA alkylating agent that methylates the guanine and adenine bases of DNA, leading to DNA double-strand breaks, cell cyc |
| HTC | 2933990090 |
| PubChem ID | 16947731 |
| SMILES | Cn1nnc2c(C(=O)O)ncn2c1=O |
| InChI | InChI=1S/C6H5N5O3/c1-10-6(14)11-2-7-3(5(12)13)4(11)8-9-10/h2H,1H3,(H,12,13) |
| InChI Key | VVTMIOYTNALQAW-UHFFFAOYSA-N |
| Use of | 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]. Properties Name 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid Synonym More Synonyms Temozolomide-8-carboxylic acid Biological Activity 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]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis References [1]. Helal DO, et al. A natural protein based platform for the delivery of Temozolomide acid to glioma cells. Eur J Pharm Biopharm. 2021 Dec;169:297-308. Chemical & Physical Properties Molecular Formula C6H5N5O3 Exact Mass 195.039246 PSA 102.38000 LogP -1.46 Index of Refraction 1.860 InChIKey VVTMIOYTNALQAW-UHFFFAOYSA-N Safety Information Hazard Codes Xi HS Code 2933990090 Synthetic Route Total: 1 Page Temozolomide CAS#:85622-93-1 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 Precursor & DownStream Precursor 1 CAS#:85622-93-1 Temozolomide DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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