6-amino-2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido}-3-phenylpropanamido)hexanamide

• ChemBase编号: 131364
• 分子式: C30H45N9O5
• 平均质量: 611.7356
• 单一同位素质量: 611.35436559
• SMILES: c1ccc(cc1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccc(cc1)O)N
• Canonical SMILES: NCCCCC(C(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CCCNC(=N)N)Cc1ccccc1
• InChI: InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)
• InChIKey: UEVAHGMTRWGMTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-amino-2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido}-3-phenylpropanamido)hexanamide
• IUPAC传统名: 6-amino-2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido}-3-phenylpropanamido)hexanamide
• 别名: [D-Arg2, Lys4]-Dermorphin-(1-4)-amide; DALDA

登记号

• CAS号: 118476-85-0
• MDL号: MFCD00144042
• PubChem SID: 162225642; 24893439
• PubChem CID: 14444332

理论计算性质

• LogD (pH = 7.4): -6.2466793
• Log P: -1.5260738
• 摩尔折射率: 176.1686 cm^3
• 极化性: 64.59983 Å^3
• 极化表面积: 264.56 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false
• Acid pKa: 9.428307
• 质子受体: 10
• 质子供体: 10
• LogD (pH = 5.5): -8.612131

分子性质

理化性质

• 外观: white solid

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1759
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 20-35-52/53
• 安全公开号: 9-26-27-28-45-61
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314-H412
• GHS警示性声明: P273-P280-P305 + P351 + P338-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1759 8/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: >96%
• 主要成分: Peptide content, ~55%

详细说明

Sigma Aldrich - D144

Amino Acid Sequence
Tyr-D-Arg-Phe-Lys-NH2
Biochem/physiol Actions
Highly selective μ opioid receptor agonist.

Sigma Aldrich - D9424

Amino Acid Sequence
Tyr-D-Arg-Phe-Lys-NH2
Biochem/physiol Actions
The most selective μ agonist. May not cross blood-brain barrier.