1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene

• ChemBase编号: 672
• 分子式: C9H4Cl3IO
• 平均质量: 361.39093
• 单一同位素质量: 359.83724579
• SMILES: IC#CCOc1c(Cl)cc(Cl)c(Cl)c1
• Canonical SMILES: Clc1cc(Cl)c(cc1OCC#CI)Cl
• InChI: InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
• InChIKey: CTETYYAZBPJBHE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene
• IUPAC传统名: haloprogin
• 商标名: Aloprogen; Haloprogin [USAN:INN:JAN]; Haloprogina [INN-Spanish]; Haloprogine [INN-French]; Haloproginum [INN-Latin]; Halotex; Mycanden; Mycilan; Polik
• 别名: Haloprogin

登记号

• CAS号: 777-11-7
• PubChem SID: 46504892; 160964135
• PubChem CID: 3561

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.8453
• LogD (pH = 7.4): 4.8453
• Log P: 4.8453
• 摩尔折射率: 66.879 cm^3
• 极化性: 26.488203 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.69
• LOG S: -4.78
• 溶解度: 6.01e-03 g/l

分子性质

理化性质

• 疏水性(logP): 5.3

详细说明

DrugBank - DB00793

• Drug Groups: approved
• Description: Haloprogin is used as a topical ointment or cream in the treatment of Tinea infections. Tinea infections are superficial fungal infections caused by three species of fungi collectively known as dermatophytes (Trichophyton, Microsporum and Epidermophyton). Commonly these infections are named for the body part affected, including tinea corporis (general skin), tinea cruris (groin), and tinea pedis (feet). Haloprogin is a halogenated phenolic ether administered topically for dermotaphytic infections. The mechanism of action is unknown, but it is thought to be via inhibition of oxygen uptake and disruption of yeast membrane structure and function.
• Indication: Used to treat fungal (Tinea) skin infections such as athlete's foot, jock itch, ringworm, and tinea versicolor.
• Pharmacology: Used as a topical ointment or cream in the treatment of Tinea infections. Tinea infections are superficial fungal infections caused by three species of fungi collectively known as dermatophytes (Trichophyton, Microsporum and Epidermophyton). Commonly these infections are named for the body part affected, including tinea corporis (general skin), tinea cruris (groin), and tinea pedis (feet).
• Affected Organisms: Dermatophytic fungi including Trichophyton, Microsporum and Epidermophyton
• References: Harrison EF, Zwadyk P Jr, Bequette RJ, Hamlow EE, Tavormina PA, Zygmunt WA: Haloprogin: a topical antifungal agent. Appl Microbiol. 1970 May;19(5):746-50. [Pubmed] ; Harrison EF, Zygmunt WA: Haloprogin: mode of action studies in Candida albicans. Can J Microbiol. 1974 Sep;20(9):1241-5. [Pubmed]
• External Links: Wikipedia; Drugs.com

参考文献

• Harrison EF, Zwadyk P Jr, Bequette RJ, Hamlow EE, Tavormina PA, Zygmunt WA: Haloprogin: a topical antifungal agent. Appl Microbiol. 1970 May;19(5):746-50. Pubmed
• Harrison EF, Zygmunt WA: Haloprogin: mode of action studies in Candida albicans. Can J Microbiol. 1974 Sep;20(9):1241-5. Pubmed