CAS 5593-20-4|betamethasone dipropionate|Diprolene AF|Betamethasone dipropionat|2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0^{2,...

基本信息

化学结构

分子式

C₂₈H₃₇FO₇

分子量

504.5875832

精确质量

504.25233174

电荷

InChI

InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

InChIKey

CIWBQSYVNNPZIQ-XYWKZLDCSA-N

Canonic Smiles

CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)COC(=O)CC

Isomeric Smiles

C1=C[C@]2(C(=CC1=O)CC[C@@H]1[C@@]2([C@H](C[C@]2([C@H]1C[C@@H]([C@@]2(C(=O)COC(=O)CC)OC(=O)CC)C)C)O)F)C

计算属性

JChem

Acid pKa

13.635488

质子受体

质子供体

LogD (pH = 5.5)

3.9648921

LogD (pH = 7.4)

3.964892

Log P

3.9648921

摩尔折射率

130.0497

极化性

50.98258

极化表面积

106.97

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

Betamethasone dipropionatDiprosoneDiprolene AFDiprospanDiproleneBetamethasone dipropionate

IUPAC标准名

2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate 2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate

IUPAC传统名

betamethasone dipropionate 2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxo-14-(propanoyloxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl propanoate

名称和标识

数据登录号

CAS号

5593-20-4

PubChem CID

21800

PubChem SID

162037704

数据登录号

化合物性质

产品相关信息

成盐信息

Free Base

应用领域

Antiinflammatory

Immunosuppressive

安全信息

保存条件

-20°C

药理学性质

生物活性机理

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Selleck Chemicals

S1688

Research Area: Immunology,Inflammation
Biological Activity:
Betamethasone Dipropionate(Diprolene) is a glucocorticoid steroid with anti-inflammatory and immunosuppressive abilities. It mimics the action of cortisol (hydrocortisone), the naturally-occurring steroid produced in the body by the adrenal glands. Corticosteroids have potent anti-inflammatory actions and also suppress the immune response. Corticosteroids have many effects on the body, but they are often used for their potent anti-inflammatory effects, particularly in those conditions in which the immune system plays an important role. [1]

描述信息

参考文献

PubChem文献

数据源提供

• Scapagnini, U. et al., Curr. Ther. Res., Clin. Exp., 1968, 10, 464, (pharmacol)

• Ferrante, M.G. et al., Anal. Profiles Drug Subst., 1977, 6, 43, (rev, dipropionate)

• Merrill, E.J. et al., J. Labelled Compd., 1971, 7, 509, (synth)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, BFV765; BFV770; VCA000

• Taub, D. et al., J.A.C.S., 1960, 82, 4012, (synth)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 6645; 6676; 7580, (synonyms)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 724

• Oliveto, E.P. et al., J.A.C.S., 1958, 80, 6687, (synth)