N-(carbamoylmethyl)-4-methyl-2-(pyrrolidin-2-ylformamido)pentanamide

• ChemBase编号: 103879
• 分子式: C13H24N4O3
• 平均质量: 284.35466
• 单一同位素质量: 284.18484065
• SMILES: CC(C)CC(NC(=O)C1CCCN1)C(=O)NCC(=O)N
• Canonical SMILES: CC(CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1)C
• InChI: InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)
• InChIKey: NOOJLZTTWSNHOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(carbamoylmethyl)-4-methyl-2-(pyrrolidin-2-ylformamido)pentanamide
• IUPAC传统名: N-(carbamoylmethyl)-4-methyl-2-(pyrrolidin-2-ylformamido)pentanamide
• 别名: MIF-1; Melanostatin; Melanocyte-Stimulating Hormone-Release Inhibiting Factor; Oxytocin fragment 7-9; PRO-LEU-GLY AMIDE; MIF-I; Pro-Leu-Gly amide

登记号

• CAS号: 2002-44-0
• EC号: 217-902-7
• MDL号: MFCD00037866
• PubChem SID: 162091355; 24898927
• PubChem CID: 3896043

理论计算性质

• Acid pKa: 12.461859
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -4.4648213
• LogD (pH = 7.4): -3.3704116
• Log P: -1.2917761
• 摩尔折射率: 73.661 cm^3
• 极化性: 29.154572 Å^3
• 极化表面积: 113.32 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97% (TLC)
• Empirical Formula (Hill Notation): C13H24N4O3

详细说明

MP Biomedicals - 02153167

Inhibits the release of melanocyte-stimulating hormone from the pituitary gland.

参考文献

• Bjoekman, S. and Sievertsson, Naunyn-Scmiedeberg's Arch. Pharmac., 298: 79 (1977).
• Chiu, S. and Mishra, R.K., Eur. J. Pharmac. , 53: 119 (1979).