2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]acetic acid

• ChemBase编号: 103842
• 分子式: C13H17N5O5
• 平均质量: 323.30458
• 单一同位素质量: 323.12296867
• SMILES: OC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1
• Canonical SMILES: OC(=O)CNC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1
• InChI: InChI=1S/C13H17N5O5/c19-10-2-1-8(17-10)13(23)18-9(3-7-4-14-6-16-7)12(22)15-5-11(20)21/h4,6,8-9H,1-3,5H2,(H,14,16)(H,15,22)(H,17,19)(H,18,23)(H,20,21)
• InChIKey: GVCTYSKUHKXJDZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]acetic acid; 2-[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]acetic acid
• IUPAC传统名: [3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]acetic acid; [3-(3H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]acetic acid
• 别名: pyroGlu-His-Gly; ANOREXIGENIC PEPTIDE; pGlu-His-Gly acetate salt

登记号

• CAS号: 69275-10-1
• MDL号: MFCD00079240
• PubChem SID: 162103202
• PubChem CID: 3918406

理论计算性质

• Acid pKa: 3.5495505
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -4.1409974
• LogD (pH = 7.4): -4.8599052
• Log P: -4.117848
• 摩尔折射率: 75.7504 cm^3
• 极化性: 29.233994 Å^3
• 极化表面积: 153.28 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: 0°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

详细说明

MP Biomedicals - 02153047

Suppresses the cephalic phase rise in serum insulin and gastrin levels.

Sigma Aldrich - P4147

Biochem/physiol Actions
Suppresses the cephalic phase rise in serum insulin and gastrin levels.1,2

参考文献

• Trygstad, O., et al., Acta Enocrin., 89: 176, (1978)
• Coy, D., et al., J. Physiol., 314: 225, (1981)
• Harding, D.R.K., et al., Int. J. Pept. Prot. Res., 18: 214, (1981).
• Schally, A.V., et al., Proc. Soc. Exp. Biol. Med. , 170: 264, (1982).