7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide

• ChemBase编号: 105372
• 分子式: C16H26BrNO
• 平均质量: 328.28774
• 单一同位素质量: 327.11977646
• SMILES: Br.CCCN(CCC)C1CCc2c(C1)cc(O)cc2
• Canonical SMILES: CCCN(C1CCc2c(C1)cc(cc2)O)CCC.Br
• InChI: InChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H
• InChIKey: ODNDMTWHRYECKX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
• IUPAC传统名: 7-OH-dpat hydrobromide
• 别名: (±)-2-二丙氨基-7-羟基-1,2,3,4-四氢萘 氢溴酸盐; (±)-7-羟基-dpat 氢溴酸盐; (±)-7-Hydroxy-DPAT hydrobromide; (±)-7-OH-DPAT hydrobromide; (±)-7-Hydroxy-2-(di-n-propylamino)tetralin hydrobromide; (±)-7-OH-DPAT; (±)-7-HYDROXY-2-DIPROPYLAMINOTETRALIN HYDROBROMIDE; R(+)-2-Dipropylamino-7-hydroxy-1,2,3,4-tetrahydronaphthalene hydrobromide; R(+)-7-Hydroxy(dipropylamino)tetralin hydrobromide; R(+)-7-Hydroxy-DPAT hydrobromide; (±)-7-hydroxy-dpat hydrobromide

登记号

• CAS号: 94938-11-7; 159795-63-8; 82730-72-1; 74938-11-7
• MDL号: MFCD00153809
• PubChem SID: 24278481; 162092498; 24277938
• PubChem CID: 11957566

理论计算性质

• Acid pKa: 10.027427
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.71101534
• LogD (pH = 7.4): 1.1492963
• Log P: 3.2832425
• 摩尔折射率: 77.4626 cm^3
• 极化性: 30.018217 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: ethanol: >56 mg/mL; H2O: >100 mg/mL; H2O: >15 mg/mL
• 外观: white solid

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... DRD3(1814)

产品相关信息

• 纯度: >98%; 98%

详细说明

MP Biomedicals - 02159936

Hydrobromide
Purity: 98%
Selective agonist for D₃ dopamine

Sigma Aldrich - H8653

Biochem/physiol Actions
A selective D3 dopamine receptor agonist (Kd <1nM); has much weaker affinity for other dopamine receptor subtypes.

Sigma Aldrich - H168

Biochem/physiol Actions
Selective D3 dopamine receptor agonist; active enantiomer of (±)-7-hydroxy-DPAT.
Caution
Photosensitive

参考文献

• Zhuang, Z.P., et al., J. Med. Chem. , 36 : 1499, (1993).