[3-(carbamimidoylsulfanyl)propyl]dimethylamine dihydrochloride

• ChemBase编号: 103968
• 分子式: C6H17Cl2N3S
• 平均质量: 234.19028
• 单一同位素质量: 233.05202392
• SMILES: Cl.Cl.CN(C)CCCSC(=N)N
• Canonical SMILES: CN(CCCSC(=N)N)C.Cl.Cl
• InChI: InChI=1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
• InChIKey: DFWCPLGXFMSUCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(carbamimidoylsulfanyl)propyl]dimethylamine dihydrochloride
• IUPAC传统名: dimaprit dihydrochloride
• 别名: dimaprit dihydrochloride; Carbamimidothioic acid, 3-(dimethylamino)propyl ester, hydrochloride (1:2); Dimaprit-2HCl; Dimaprit dihydrochloride; S-(3-Dimethylaminopropyl)-isothiourea dihydrochloride; DIMAPRIT

登记号

• CAS号: 23256-33-9
• MDL号: MFCD00069260
• PubChem SID: 162090975
• PubChem CID: 90045

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -4.8954315
• LogD (pH = 7.4): -3.0763183
• Log P: 0.3882868
• 摩尔折射率: 57.913 cm^3
• 极化性: 18.255253 Å^3
• 极化表面积: 53.11 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: H2O: ≥50 mg/mL
• 外观: white to off-white powder
• 熔点: 161-163°C

安全信息

• 保存条件: -20°C
• RTECS编号: UM3850000
• 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
• 保存温度: -20°C

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98% (NMR)
• 成盐信息: dihydrochloride
• Empirical Formula (Hill Notation): C6H15N3S · 2HCl

详细说明

MP Biomedicals - 02153733

Dihydrochloride
H2 Histamine agonist

Sigma Aldrich - D7571

Biochem/physiol Actions
The histamine H2 receptor influences various cardiovascular responses, including vasodilation and cardiac rhythm, regulates gastric acid secretion, and also plays a role in the immune system by inhibiting antibody production, T cell proliferation and cytokine production. Histamine receptors are members of the GPCR family, and H2 mediates cell signaling via internalization and interaction with the GTPase dynamin.