(2R)-2-[(2-{[(2R)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride

• ChemBase编号: 53545
• 分子式: C10H26Cl2N2O2
• 平均质量: 277.23164
• 单一同位素质量: 276.13713344
• SMILES: N([C@@H](CO)CC)CCN[C@@H](CO)CC.Cl.Cl
• Canonical SMILES: CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl
• InChI: InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m1../s1
• InChIKey: AUAHHJJRFHRVPV-HSTMFJOWSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-[(2-{[(2R)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
• IUPAC传统名: (2R)-2-[(2-{[(2R)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
• 别名: 2,2'-[1,2-Ethanediyldi(imino)]di(1-butanol) dihydrochloride; 2,2′-(1,2-Ethanediyldiimino)bis-1-butanol dihydrochloride; Emb; Ethambutol dihydrochloride

登记号

• CAS号: 1070-11-7
• EC号: 213-970-7
• MDL号: MFCD01656163; MFCD00216025
• PubChem SID: 162058308; 24894566
• PubChem CID: 6419929

理论计算性质

• Acid pKa: 14.819909
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -4.4261327
• LogD (pH = 7.4): -2.2525384
• Log P: -0.059291072
• 摩尔折射率: 57.888 cm^3
• 极化性: 23.439148 Å^3
• 极化表面积: 64.52 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• RTECS编号: EL3854000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 61
• 安全公开号: 53-22-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H360
• GHS警示性声明: P201-P308 + P313
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

产品相关信息

• Empirical Formula (Hill Notation): C10H24N2O2 · 2HCl

详细说明

Sigma Aldrich - E4630

Application
Ethambutol is an antimycobacterial used to treat tuberculosis in combination with other antibiotics to reduce the development of drug resistance. It has been used to study multidrug-resistant tuberculosis (MDR-TB) in highest-incidence-rate areas in China.1
Biochem/physiol Actions
Ethambutol is bacteriostatic against actively growing TB bacilli. Mycolic acids attach to the 5′-hydroxyl groups of D-arabinose residues of arabinogalactan and form mycolyl-arabinogalactan-peptidoglycan complex in the cell wall. Ethambutol disrupts arabinogalactan synthesis by inhibiting arabinosyltransferases, specifically those in Mycobacterium, interfering with the biosynthesis of arabinogalactans found in the cell wall of mycobacteria and leading to increased cell wall permeability.2,3