7-이소프로폭시-3-페닐-4H-1-벤조피란-4-원
7-이소프로폭시-3-페닐-4H-1-벤조피란-4-원 · YAMBOLAP · Ipriavone · Ipriflavon · 7-ISOPROPOXYISOFLAVONE · Ipriflavone (Osteofix) · 7-(1-methylethoxy)-3-phenyl-4h-1-benzopyron-4-one · tc80
식별자 및 물리적 특성
| CAS No. | 35212-22-7 |
|---|---|
| 분자식 | C18H16O3 |
| 평균 분자량 | 280.3 g/mol |
| 단동위원소 질량 | 280.10994437 g/mol |
| SMILES | CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 |
| InChIKey | SFBODOKJTYAUCM-UHFFFAOYSA-N |
| PubChem CID | 3747 |
| ChEMBL | CHEMBL165790 |
| ChEBI | CHEBI:31719 |
| EC No. | 609-092-2 |
| DTXSID | DTXSID5040679 |
| 현지명 | 7-이소프로폭시-3-페닐-4H-1-벤조피란-4-원 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 35.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 407 |
| 녹는점 | 115 - 117 °C116-120 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 161.54 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]175.72 Ų [M+Na]+ [CCS Type: TW155.27 Ų [M+H-H2O]+ [CCS Type: TW164.3 Ų [M+H]+ [CCS Type: TW |
| 끓는 점 | 363.04°C (rough estimate) |
| 밀도 | 1.2170 (rough estimate) |
| 굴절률 | 1.4700 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMF:20.0(Max Conc. mg/mL)71.35(Max Conc. mM)DMF:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL)0.71(Max Conc. mM)DMSO:33.11(Max Conc. mg/mL)118.11(Max Conc. mM)Ethanol:1.5(Max Conc. mg/mL)5.35(Max Conc. mM) |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 거의 흰색 |
| Merck | 14,5074 |
| InChI | InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3 |
| InChIKey | SFBODOKJTYAUCM-UHFFFAOYSA-N |
| SMILES | C1OC2=CC(OC(C)C)=CC=C2C(=O)C=1C1=CC=CC=C1 |
| LogP(분배 계수) | 4.245 (est) |
화학적 성질
white powder
안전 및 규제
| 수질 위해 등급(WGK) | 2 |
|---|---|
| RTECS 번호 | DJ3100500 |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36/37/39-27-26 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Ipriflavone, a derivative of isoflavone, is a calcium metabolism regulator useful in the treatment of primary and secondary osteoporosis, as well as disorders of osteogenesis. It appears to be without significant side-effects.
용도
7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one (Ipriflavone) has been used as a model drug in a study to functionalize the mesoporous bioactive glasses (MBG). Study suggested that since ipriflavone is a hydrophobic anti-osteoporotic drug, it easily attaches to the surface of MBG and results in long-term drug delivery.
일반 설명
7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one (Ipriflavone), a synthetic flavonoid, is reported to stimulate the activity of osteoblasts. It is reported to promote the deposition of calcium and the formation of mineralized nodules by newborn rat calvarial osteoblast-like (ROB) cells as well as the activity of alkaline phosphatase. Ipriflavone, an isoflavone derivative, is a new drug used to decrease bone loss in osteoporosis.