10-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo(c)indeno(5,4-e)oxepin-3-one
24-EPIBRASSINOLIDE · Epibrassinolide · BP55 · B1105 · CS-1258 · Brassinolide,BR · 24R-BRASSINOLIDE · 4-Epicastasterone
식별자 및 물리적 특성
| CAS No. | 78821-43-9 |
|---|---|
| 분자식 | C28H48O6 |
| 평균 분자량 | 480.7 g/mol |
| 단동위원소 질량 | 480.34508925 g/mol |
| SMILES | CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C |
| InChIKey | IXVMHGVQKLDRKH-UHFFFAOYSA-N |
| PubChem CID | 3239 |
| ChEMBL | CHEMBL1967970 |
| ChEBI | CHEBI:201452 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 107 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 34 |
| 형식 전하 | 0 |
| 복잡도 | 755 |
| 녹는점 | 256 - 258 °C256°C |
| Physical Description | Solid |
| 끓는 점 | 633.7±55.0 °C(Predicted) |
| 밀도 | 1.141±0.06 g/cm3(Predicted) |
| 저장 조건 | -20°C |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 14.27±0.70(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 주요 응용 | 농업 |
| InChIKey | LUGSJEJPERVCLF-AQWCSQKENA-N |
| SMILES | O1[C@H](C(C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)C2[C@]3(C)C(CCC3)[C@@H](O)[C@@H](O)C2C2CC(=O)CC[C@]2([H])[C@@H]1C |&1:1,4,6,8,14,20,22,31,33,r| |
| EPA | 3H-Benz[c]indeno[5,4-e]oxepin-3-one, 10-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-5,6-dihydroxy-7a,9a-dimethyl-, (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)- (78821-43-9) |
화학적 성질
The solubility of epibrassinolide in ethanol and DMSO is approximately 3 mg/ml and approximately 5 mg/ml in DMF.
화학적 성질
White Solid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| 관세 코드 | 29372900 |
| 위험 문구(R) | 22-36/37/38 |
| 안전 문구(S) | 22-36/37/39-45 |
| 위험 등급 | Aquatic Chronic 4 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Epibrassinolide is a brassinosteroid that can be isolated from various plants and has been shown to decrease toxicity and stimulate healthy plant growth in plants under stress. Epibrassinolide is also reported to be a potential apoptotic inducer in various cancer cells without affecting the non-tumor cell growth. It has also been shown to protect neuronal PC12 cells from 1-methyl-4-phenylpyridinium-induced oxidative stress and consequent apoptosis in dopaminergic neurons.
용도
Epibrassinolide has been used:in Murashige and Skoog (MS) medium to study the cotyledon and shoot length response of Cappelle-Desprez (rht8) and RIL6 (Rht8) plants towards itin callus-inducing medium for callus inductionto induce the expression of the gene leaf inclination 2 (LC2) in rice sampling