(1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl furan-2-carboxylate

• ChemBase编号: 73235
• 分子式: C27H30Cl2O6
• 平均质量: 521.4295
• 单一同位素质量: 520.14194404
• 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)CCl)OC(=O)c1ccco1)C)C)O)Cl)C
• Canonical SMILES: ClCC(=O)[C@@]1(OC(=O)c2ccco2)[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)Cl
• InChI: InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
• InChIKey: WOFMFGQZHJDGCX-ZULDAHANSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl furan-2-carboxylate; (1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-14-yl furan-2-carboxylate
• IUPAC传统名: mometasone furoate; nasonex
• 别名: Mometasone furoate; (11β,16α)-9,21-Dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione; Mometasone furoate; (11β,16α)-9,21-Dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-pregna-1,4-diene-3,20-dione; Sch-32088, Elocon, Nasonex; Twisthaler

登记号

• CAS号: 83919-23-7
• MDL号: MFCD00866003
• PubChem SID: 162038155
• PubChem CID: 441336

理论计算性质

• Acid pKa: 13.836226
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 5.055208
• LogD (pH = 7.4): 5.0552077
• Log P: 5.055208
• 摩尔折射率: 132.4999 cm^3
• 极化性: 51.422264 Å^3
• 极化表面积: 93.81 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: ≥20 mg/mL; Methanol
• 外观: white to off-white powder; White-to-Off-White Solid
• 熔点: 218-220°C
• 比旋光度: [α]/D +50 to +60°, c = 0.5 in methanol

安全信息

• 保存条件: -20°C; -20°C Freezer, Under Inert Atmosphere
• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: furoate
• Empirical Formula (Hill Notation): C27H30Cl2O6

详细说明

Selleck Chemicals - S1987

Research Area: Inflammation
Biological Activity:
Mometasone furoate is a glucocorticosteroid used topically to reduce inflammation of the skin or in the airways. Mometasone furoate is used in the treatment of inflammatory skin disorders (such as eczema and psoriasis), allergic rhinitis (such as hay fever), asthma for patients unresponsive to less potent corticosteroids, and penile phimosis. In terms of steroid strength, it is more potent than hydrocortisone, and less potent than dexamethasone. Mometasone furoate reduces inflammation by causing several effects: reversing the activation of inflammatory proteins, activating the secretion of anti-inflammatory proteins, stabilising cell membranes, decreasing the influx of inflammatory cells. [1]References on Mometasone furoate[1] http://en.wikipedia.org/wiki/Mometasone_furoate, ,

Sigma Aldrich - M4074

Biochem/physiol Actions
Mometasone furoate is an anti-inflammatory glucocorticoid.

Toronto Research Chemicals - M490000

A topical corticosteroid used as an anti-inflammatory.

参考文献

• http://en.wikipedia.org/wiki/Mometasone_furoate
• Shapiro, E.L., et al.: J. Med. Chem., 30, 1581 (1987)
• Graft, D., et al.: J. Allergy Clin. Immunol., 98, 724 (1996)