6-bromocyclohex-4-ene-1,2,3-triol

• ChemBase编号: 91247
• 分子式: C6H9BrO3
• 平均质量: 209.03786
• 单一同位素质量: 207.97350615
• SMILES: OC1C(C(C(C=C1)Br)O)O
• Canonical SMILES: OC1C=CC(C(C1O)O)Br
• InChI: InChI=1S/C6H9BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H
• InChIKey: SUCAFEYLYXXTPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-bromocyclohex-4-ene-1,2,3-triol
• IUPAC传统名: 6-bromocyclohex-4-ene-1,2,3-triol
• 别名: Bromoconduritol; 6-Bromo-3,4,5-trihydroxycyclohex-1-ene; 6-Bromocyclohex-4-ene-1,2,3-triol; 6-Bromo-3,4,5-trihydroxy Cyclohex-1-ene; 6-Bromo-4-cyclohexene-1,2,3-triol; Bromoconduritol (Mixture of Isomers); 6-BROMO-4-CYCLOHEXENE-1,2,3-TRIOL

登记号

• CAS号: 42014-74-4
• MDL号: MFCD00036927
• PubChem SID: 162077951
• PubChem CID: 122062

理论计算性质

• Acid pKa: 12.759587
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -0.454037
• LogD (pH = 7.4): -0.45403886
• Log P: -0.45403698
• 摩尔折射率: 40.2031 cm^3
• 极化性: 15.676994 Å^3
• 极化表面积: 60.69 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: 115-118°C

安全信息

• 保存注意事项: Irritant/Store at -20°C

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02158879

(6-Bromo-3,4,5-trihydroxycyclohex-1-ene; Bromoconduritol)
Purity: 99%
Mixed isomers
Inhibitor of mammalian α-glucosidase II over α-glucosidase I.

Apollo Scientific Ltd - OR6825T

Mixture of Isomers. Bromoconduritol inhibits mammalian aglucosidasde 2.

Toronto Research Chemicals - B682500

Bromoconduritol selectively inhibits mammalian alpha-glucosidase 2 (Glc2/Glc1 glucosidase in the glycoprotein processing pathway), yeast alpha-glucosidase, and some beta-glucosidases. It does not inhibit mammalian alpha-glucosidase 1 (Glc3-glucosidase)

参考文献

• Datema, R., et al., Proc. Natl. Acad. Sci. USA, 79: 678
• Proc. Natl. Acad. Sci. USA, 79, 6787-6791 (1982)
• Biochimie, 64, 977-1000 (1982)
• Trends Bio. Sci., 9, 32-34 (1984)