Ipriflavone (HCID 3747)

이름 및 식별자

우선 이름: Ipriflavone
IUPAC: 3-phenyl-7-propan-2-yloxychromen-4-one
현지명: 7-이소프로폭시-3-페닐-4H-1-벤조피란-4-원
영어명: Ipriflavone
분자식: C18H16O3
분자량: 280.32

이름 및 동의어

ipriflavone35212-22-7OstenYambolap7-IsopropoxyisoflavoneIpriflavonaIpriflavonumOstivoneDTXSID50406797-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one80BJ7WN25Z

이름 더 보기

7-이소프로폭시-3-페닐-4H-1-벤조피란-4-원IpriavoneIpriflavonIpriflavone (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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 407

실험 및 물리화학적 성질

Melting Point115 - 117 °C

Physical DescriptionSolid

Collision Cross Section · 2건

161.54 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；175.72 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；155.27 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

164.3 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 116 · 116-120 °C(lit.)
끓는 점: 363.04 °C · 363.04°C (rough estimate)
밀도: 1.217 · 1.2170 (rough estimate)
굴절률: 1.47 · 1.4700 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 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)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
Merck: 14 · 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: 4.245 · 4.245 (est)

화학적 성질

white powder

안전 및 규제

안전 데이터

wgk: 2
rtecs: DJ3100500
HS 번호: 29329990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37/39-27-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 2건

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

응용 분야 · 3건

개요Ipriflavone, 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.

용도7-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 설명7-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.

상·하류 제품 정보

상류 원료

이소프로필브로마이드 탄산 칼륨 염화 아연 레조시놀 페닐아세토나이트릴 디에틸에테르 아세트산(빙초산)페닐초산 Phenylzinc bromide 2',4'-디히드록시-2-페닐아세토페논 테트라페닐 주석 7-Hydroxyisoflavone

공급사50 곳

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]

추가 설명 · 1건

정의ChEBI: 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.