(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-4-methylpentanamido]-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-4-methylpentanamide; trifluoroacetic acid

• ChemBase编号: 154906
• 分子式: C32H52F3N9O8
• 平均质量: 747.8059896
• 单一同位素质量: 747.38909433
• SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)N.C(=O)(C(F)(F)F)O
• Canonical SMILES: OC(=O)C(F)(F)F.OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)CC(C)C)CC(C)C)Cc1ccccc1)N
• InChI: InChI=1S/C30H51N9O6.C2HF3O2/c1-17(2)13-22(27(43)36-21(25(32)41)11-8-12-35-30(33)34)38-28(44)23(14-18(3)4)39-29(45)24(37-26(42)20(31)16-40)15-19-9-6-5-7-10-19;3-2(4,5)1(6)7/h5-7,9-10,17-18,20-24,40H,8,11-16,31H2,1-4H3,(H2,32,41)(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H4,33,34,35);(H,6,7)/t20-,21-,22-,23-,24-;/m0./s1
• InChIKey: UUNMFWMQJXBTAA-VHIJBDTGSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-4-methylpentanamido]-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-4-methylpentanamide; trifluoroacetic acid
• IUPAC传统名: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-4-methylpentanamido]-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-4-methylpentanamide; trifluoroacetic acid
• 别名: L-Seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-Arginine amide trifluoroacetate salt; Ser-Phe-Leu-Leu-Arg-amide trifluoroacetate salt; Thrombin Receptor Activator for Peptide 5 (TRAP-5) trifluoroacetate salt; SFLLR-NH2 trifluoroacetate salt

登记号

• MDL号: MFCD18782167
• PubChem SID: 162249044
• PubChem CID: 71312024

理论计算性质

• Acid pKa: 11.679374
• 质子受体: 10
• 质子供体: 10
• LogD (pH = 5.5): -5.7492485
• LogD (pH = 7.4): -4.116464
• Log P: -1.8233638
• 摩尔折射率: 178.4448 cm^3
• 极化性: 65.80233 Å^3
• 极化表面积: 267.64 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: ≥2 mg/mL
• 外观: white to off-white powder

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (HPLC)
• Empirical Formula (Hill Notation): C30H51N9O6 · xC2HF3O2

详细说明

Sigma Aldrich - S8701

Biochem/physiol Actions
SFLLR-NH2 is a PAR-1 (Protease-Activated Receptor) selective activating peptide, also known as Thrombin Receptor Activating Peptide 5 (TRAP-5). Protease-activated receptors (PARs) are present on various organs including, platelets, mast cell, gallblader, oesophagus etc, and regulate various physiological processes including human platelet aggregation, vascular contraction/relaxation, and an increase in endothelial permeability. Recent papers indicated that PAR′s are also involved in sensory processing and proliferation of astrocytes.