(1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylic acid

• ChemBase编号: 73252
• 分子式: C8H15NO2
• 平均质量: 157.2102
• 单一同位素质量: 157.11027873
• SMILES: C1C[C@@H](CC[C@H]1C(=O)O)CN
• Canonical SMILES: NC[C@@H]1CC[C@H](CC1)C(=O)O
• InChI: InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
• InChIKey: GYDJEQRTZSCIOI-LJGSYFOKSA-N

名称和登记号

名称

• IUPAC标准名: (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylic acid
• IUPAC传统名: tranexamic acid
• 别名: 氨甲环酸; 反-4-(氨基甲基)环己烷羧酸; Cyklokapron; Tranexamic acid (Transamin); AMCA; AMCHA; HAKU; TAMCHA; Tranexamic acid; trans-4-(Aminomethyl)cyclohexanecarboxylic acid; trans-4-(Aminomethyl)cyclohexanecarboxylic Acid; Amchafibrin; Amikapron; Anvitoff; Bay 3517; CL 65336; Cyclocapron; Cyclokapron; DV 79; Exacyl; Haematrix; Tranol; Transamin; Transamin S; Transcam; Ugurol; Xamig; Xed; Zataranax; t-AMCHA; trans-Amcha; trans-p-(Aminomethyl)cyclohexanecarboxylic Acid; Tranexamic Acid

登记号

• CAS号: 1197-18-8
• EC号: 214-818-2
• MDL号: MFCD00001466
• Beilstein号: 2207452
• PubChem SID: 24888448; 24846186; 162038172
• PubChem CID: 5526

理论计算性质

• Acid pKa: 4.5582533
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.5895343
• LogD (pH = 7.4): -1.5519825
• Log P: -1.5523915
• 摩尔折射率: 41.9037 cm^3
• 极化性: 16.785397 Å^3
• 极化表面积: 63.32 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White Solid
• 熔点: >260°C (dec.); >300 °C(lit.)

安全信息

• 保存条件: -20°C; Hygroscopic, Refrigerator, Under Inert Atmosphere
• RTECS编号: GU8400000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥96.0% (GC); 97%
• 级别: purum
• 成盐信息: Free base
• 线性分子式: H2NCH2C6H10CO2H
• 分类: Derivatives & analogs of Natural Compounds

详细说明

Selleck Chemicals - S1875

Research Area: Cardiovascular Disease
Biological Activity:

Sigma Aldrich - 857653

Application
用作赖氨酸类似物，用于表征纤溶酶原中的结合位点。1,2
包装
10, 50, 250 g in poly bottle

Sigma Aldrich - 08455

Other Notes
有效的纤维蛋白溶解特异性抑制剂1；用于纤溶酶原研究2；还用作氨基酸气相色谱分析的内标3

Toronto Research Chemicals - T714505

Antifibrinolytic agent; blocks lysine binding sites of plasminogen. Hemostatic.

参考文献

• Andersson, et al.: Scand. J. Haematol. 2, 230 (1965)
• Melander, B., et al.: Acta Pharmacol. Toxicol., 22, 340 (1965)
• Bonnar, J., et al.: Br. Med. J., 313, 579 (1965)
• Dunn, C.J., et al.: Drugs, 57, 1005 (1965)