イプリフラボン

Ipriflavone

HCID 3747CAS 35212-22-7
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIKey
SFBODOKJTYAUCM-UHFFFAOYSA-N
分子式
C18H16O3
平均分子量
280.3 g/mol
単同位体質量
280.10994437

名称と識別子

優先名称
Ipriflavone
IUPAC
3-phenyl-7-propan-2-yloxychromen-4-one
現地名
イプリフラボン
英語名
Ipriflavone
分子式
C18H16O3
分子量
280.32

名称と別名

ipriflavone35212-22-7OstenYambolap7-IsopropoxyisoflavoneIpriflavonaIpriflavonumOstivoneDTXSID50406797-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one80BJ7WN25Z
名称をさらに表示
イプリフラボンムービニンオステン7-イソプロピルオキシイソフラボン7-イソプロポキシイソフラボンイプリプラスト7-(1-メチルエトキシ)-3-フェニル-4H-1-ベンゾピラン-4-オンコバステンサイポリンオリコックヤンボラップカルステノンモンタルジーフィオランスフラボステンアンブジールイバナシン7-イソプロピルオキシ-3-フェニル-4H-1-ベンゾピラン-4-オンアスオストイプリフラボン (JP17)IpriavoneIpriflavonIpriflavone (Osteofix)7-(1-methylethoxy)-3-phenyl-4h-1-benzopyron-4-onetc80fl113
NSC-755888DTXCID3020679CHEBI:31719RefChem:923535M05BX017-(1-Methylethyl)oxy-3-phenyl-4H-chromen-4-oneOsteofix7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one

データベース識別子

CAS
35212-22-7
PubChem CID
3747
DTXSID
DTXSID5040679
ChEMBL
CHEMBL165790
ChEBI
CHEBI:31719
UNII
80BJ7WN25Z
EC Number
609-092-2
Nikkaji
J19.468I

物性

構造計算による物性

XLogP
4
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
21

実験および物理化学的性質

Melting Point115 - 117 °C
Physical DescriptionSolid
Collision Cross Section · 2 件

161.54 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；175.72 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；155.27 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

164.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
116 · 116-120 °C(lit.)
沸点
363.04 °C · 363.04°C (rough estimate)
比重(密度)
1.217 · 1.2170 (rough estimate)
屈折率
1.47 · 1.4700 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
20 · 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)

化学的性質

化学的特性white powder

安全と法規制

安全データ

wgk
2
rtecs
DJ3100500
hs_code
29329990
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36/37/39-27-26

化学と産業

薬理情報

ATC Code · 2 件

M - Musculo-skeletal system；M05 - Drugs for treatment of bone diseases；M05B - Drugs affecting bone structure and mineralization；M05BX - Other drugs affecting bone structure and mineralization；M05BX01 - Ipriflavone

QM - Musculo-skeletal system；QM05 - Drugs for treatment of bone diseases；QM05B - Drugs affecting bone structure and mineralization；QM05BX - Other drugs affecting bone structure and mineralization；QM05BX01 - Ipriflavone

Metabolism/MetabolitesIpriflavone has known human metabolites that include 4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-(1-methylethoxy)-, 7-Hydroxyisoflavone, and 3-Phenyl-7-(1-methyl-2-hydroxyethoxy)-4H-1-benzopyran-4-one.
Cellular LocationsMembrane
応用分野 · 6 件

用途骨粗鬆症における骨量減少の改善研究用。

用途直接的な骨吸収抑制作用、エ ストロゲンのカルシトニン分泌促進作用を示 します。

用途直接的な骨吸収抑制作用、エ ストロゲンのカルシトニン分泌促進作用を示 します。

説明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.

使用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.

一般的な説明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.

上流・下流製品情報

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
補足説明 · 1 件

定義ChEBI: Ipriflavone is a member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. It has a role as a bone density conservation agent. It is a member of isoflavones and an aromatic ether.

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