Introduction：Basic information about CAS 24502-79-2|Dimethylacrylshikonin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Dimethylacrylshikonin |
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| CAS Number | 24502-79-2 | Molecular Weight | 370.396 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 653.2±55.0 °C at 760 mmHg |
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| Molecular Formula | C21H22O6 | Melting Point | 103ºC |
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| MSDS | / | Flash Point | 362.8±28.0 °C |
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Names
| Name | (β,β-DIMETHYLACRYL)SHIKONIN |
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| Synonym | More Synonyms |
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Dimethylacrylshikonin BiologicalActivity
| Description | β,β-Dimethylacrylshikonin is a naphthoquinone derivative isolated from Arnebia nobilis, promotes angiogenesis by inducing eNOS, VEGF and HIF-1α expression through the PI3K-dependent pathway. Arnebin 1 has anti-tumor activity[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| References | [1]. Zeng Z, et al. Arnebin-1 promotes angiogenesis by inducing eNOS, VEGF and HIF-1α expression through the PI3K-dependent pathway. Int J Mol Med. 2015 Sep;36(3):685-97. [2]. Sidhu GS, et al. Arnebin-1 accelerates normal and hydrocortisone-induced impaired wound healing. J Invest Dermatol. 1999 Nov;113(5):773-81. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 653.2±55.0 °C at 760 mmHg |
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| Melting Point | 103ºC |
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| Molecular Formula | C21H22O6 |
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| Molecular Weight | 370.396 |
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| Flash Point | 362.8±28.0 °C |
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| Exact Mass | 370.141632 |
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| PSA | 100.90000 |
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| LogP | 4.45 |
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| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
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| Index of Refraction | 1.616 |
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| InChIKey | BATBOVZTQBLKIL-QGZVFWFLSA-N |
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| SMILES | CC(C)=CCC(OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EM9252400
- CHEMICAL NAME :
- 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl )-4-methyl- 3-pentenyl ester, (+)-
- CAS REGISTRY NUMBER :
- 24502-79-2
- LAST UPDATED :
- 198208
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H22-O6
- MOLECULAR WEIGHT :
- 370.43
- WISWESSER LINE NOTATION :
- L66 BV EVJ CY2UY1&1&OV1UY1&1 GQ JQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 48 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 1,60,1980
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Safety Information
| Safety Phrases | 22-24/25 |
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| RTECS | EM9252400 |
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| HS Code | 2916129000 |
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Customs
| HS Code | 2916129000 |
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| Summary | 2916129000 other esters of acrylic acid VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| (BETA,BETA-DIMETHYLACRYL)SHIKONIN |
| 2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester |
| dmask |
| 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R,3E)-1-hydroxy-4,8-dimethyl-6-oxo-3,7-nonadien-1-yl]- |
| 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)- |
| (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-methyl-2-butenoate |
| 2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester |
| Senecioylshikonin |
| Dimethylacrylshikonin |
| Isoarnebin I |
| b,b-Dimethylacrylshikonin |
| 5,8-Dihydroxy-2-[(1R,3E)-1-hydroxy-4,8-dimethyl-6-oxo-3,7-nonadien-1-yl]-1,4-naphthoquinone |
| (β,β-DiMethylacryl)shikonin |
