POLYLYSINE CAS#: 25104-18-1; 凯望编码 (ChemWhat Code): 81133
Identification
| 英文名 | POLYLYSINE |
| IUPAC Name | (2S)-2,6-diaminohexanoic acid |
| 分子结构 |  |
| CAS编号 | 25104-18-1 |
| EINECS Number | 213-091-9 |
| MDL Number | MFCD02668012 |
| Beilstein Registry Number | 1722530 |
| 别名 | L-lysine lysine 56-87-1 h-Lys-oh (S)-Lysine Aminutrin alpha-Lysine Lisina Lysinum Lysinum [Latin] lysin LYS (IUPAC abbreviation) lys CHEBI:18019 lysina (+)-S-Lysine BRN 1722531 HSDB 2108 AI3-26523 EINECS 200-294-2 UNII-K3Z4F929H6 DTXSID6023232 K3Z4F929H6 DTXCID403232 Lysinum (Latin) 4-04-00-02717 (Beilstein Handbook Reference) LYSINE (II) LYSINE [II] LYSINE (MART.) LYSINE [MART.] B05XB03 200-294-2 lysine acid (2S)-2,6-diaminohexanoic acid (S)-2,6-Diaminocaproic acid L-(+)-Lysine (S)-2,6-Diaminohexanoic acid Hydrolysin 25104-18-1 L-lys Lisina [Spanish] L-Norleucine, 6-amino- Lysine, L- (S)-alpha,epsilon-Diaminocaproic acid Lysine [USAN:INN] L-2,6-Diaminocaproic acid Hexanoic acid, 2,6-diamino-, (S)- a-Lysine 2,6-Diaminohexanoic acid, (S)- L-Lysin 12798-06-0 6-ammonio-L-norleucine MFCD00064433 L-LYSINE, MONOACETATE 3H-Lysine 2,6-diaminohexanoate L-Lysine, labeled with tritium L-aLysine .alpha.-Lysine Lysine homopolymer 1ozv 1yxd 3h-l-lysine 6-amino-Aminutrin NCGC00164527-01 L-?Lysine H-Lys (-)-lysine L-Lysine (Standard) 6-amino-L-Norleucine Lysine (USAN/INN) L-2,6-Diainohexanoate L-2,6-Diaminocaproate LYSINE [VANDF] LYSINE [HSDB] LYSINE [USAN] LYSINE [INN] L-LYSINE [FHFI] LYSINE [WHO-DD] (S)-a,e-Diaminocaproate epsilon-Lysine homopolymer LYSINE [MI] L-Lysine, >=97% bmse000043 bmse000914 Epitope ID:136017 (S)-2,6-Diaminohexanoate L-2,6-Diainohexanoic acid CHEMBL8085 GTPL724 (S)-2,6-diamino-Hexanoate (S)-a,e-Diaminocaproic acid L-Lysine, analytical standard L-Lysine, >=98%, FG HY-N0469R (S)-2,6-diamino-Hexanoic acid L-Lysine, >=98% (TLC) BDBM217367 (2S)-2,6-Diamino-hexanoic acid HY-N0469 L-H2N(CH2)4CH(NH2)COOH Tox21_112158 s5630 .alpha.,.epsilon.-Diaminocaproic acid AKOS006239081 AKOS015855172 CCG-266180 CS-W019758 DB00123 FL15266 CAS-56-87-1 NCGC00166296-02 20166-34-1 AC-14492 AS-11733 DA-54968 FL165793 TYROSINE IMPURITY B [EP IMPURITY] (S)-.alpha.,.epsilon.-Diaminocaproic acid L-Lysine, crystallized, >=98.0% (NT) L0129 L-Lysine, Vetec(TM) reagent grade, >=98% C00047 D02304 G72513 SBI-0633577.0002 A919375 (S)-2,6-Diaminocaproic acid;(S)-(+)-Lysine;Lysine BRD-K86016185-001-01-3 Q20816880 F0001-1472 0013CD6B-1671-4369-B1BE-F531611E50C7 |
| 分子式 | C6H14N2O2 |
| 分子量 | 146.19 |
| InChI | InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 |
| InChI Key | KDXKERNSBIXSRK-YFKPBYRVSA-N |
| SMILES | C(CCN)C[C@@H](C(=O)O)N |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2023/60310 | A SPERM EXTENDER MEDIUM | 2023 |
| WO2023/168053 | HPDL INHIBITORS AND USES THEREOF | 2023 |
| US2023/210110 | METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS | 2023 |
| US2023/210110 | METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS | 2023 |
| US2023/210110 | METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS | 2023 |
| CN115260068 | Divalent metal co-salt compound taking methionine hydroxyl as tablet base as well as preparation method and application of divalent metal co-salt compound | 2022 |
| WO2020/180941 | PHARMACEUTICAL COMPOSITIONS CONTAINING FREE BASES AND METHODS OF USE THEREOF | 2020 |
| CN109678715 | Salts prepared from 2-(1-acyloxy-n-amyl)benzoic acid and basic amino acid or aminoguanidine, and preparation method and application thereof | 2019 |
Physical Data
| Appearance | White powder |
| Melting Point, °C | Comment (Melting Point) |
| 215 | |
| 215 | |
| 224 – 225 | |
| 196 | |
| 225 | |
| 229.3 | Decomposition, Crystallization with 1 Mol(s) H2O |
| 187 – 189 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| Desorption | 159 | H-ZSM-5 zeolite | |
| Sorption table | water | zeolite L | |
| Adsorption isotherm | water | 25 | zeolite L |
| Further physical properties of the adsorbed molecule | zeolite L | ||
| Rate of adsorption | water | zeolite L | |
| Further physical properties of the adsorbed molecule | P-25 | ||
| Further physical properties of the adsorbed molecule | titanium(IV) oxide |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | |||
| Chemical shifts | 1H | water-d2 | 24.84 | 500.1 |
| Chemical shifts | 1H | water-d2 | 600 | |
| Spectrum | 1H | water-d2, aq. phosphate buffer | 22.84 | |
| Chemical shifts | 1H | |||
| HSQC (Heteronuclear Single Quantum Coherence), Spectrum | 1H, 13C | |||
| HMBC (Heteronuclear Multiple Bond Coherence), Spectrum | 1H, 13C |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Spectrum | |
| Spectrum | potassium bromide |
| Bands, Spectrum | potassium bromide |
| Bands, Spectrum | |
| Bands, Spectrum | |
| ATR (attenuated total reflectance), Bands, Spectrum | |
| ATR (attenuated total reflectance), Spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | ||
| Spectrum | water | |
| Spectrum | ||
| Spectrum | water | |
| Spectrum | water | |
| Spectrum | neat (no solvent, solid phase) |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sodium hydroxide In 1,4-dioxane; water at 20℃; for 1h; pH=10 – 11; Experimental Procedure This synthesis is in accordance with Galbiati, B.; Ferrario, T.; Merli, V. WP 0110851(2001). A 250 mL three-necked flask was loaded consecutively with water (20 mL), 1,4-dioxane (20 mL) and L-lysine (2.1 g, 14.4 mmol). The mixture was stirred until complete dissolution. The pH was adjusted to about 10.5 by addition of 30% NaOH. Benzylchloroformate (5.2 g, 30.6 mmol) was added while maintaining the pH at about 1011 by adding at the same time 30% NaOH. At the end of the addition, the reaction was stirred at 20° C. for about 1 hour. The pH was adjusted to 5 with 37% HCl. Ethyl acetate (30 mL) was added and the pH was adjusted to 1 with 37% HCl. The mixture was stirred at room temperature for about 30 minutes, the organic layer was separated and the aqueous layer was extracted with ethyl acetate (20 mL). The combined organic layer was washed with brine (30 mL), and dried over Na2SO4. Then, the solvent was evaporated to yield a yellowish oil (6.0 g, 99%). The oil was pre-dried by azeotropic distillation with benzene. | 99% |
| With sodium carbonate In diethyl ether; water at 0℃; for 5h; Experimental Procedure 1.1 Step 1, 1. 155 mol of Cbz-Cl was dissolved in 100 mL of diethyl ether solution,200 mL of a 10% NaCO3 aqueous solution containing 0.0645 mol of L-lysine was added dropwise,After the addition was completed, the reaction was maintained at 0 ° C for 5 hours, and the product was obtained with an appropriate amount of 10% lemonAcidified and extracted with chloroform,The reaction layer was washed with water to give a large amount of waterN, N’-bis-benzyloxycarbonyl-L-lysine,The yield is about 95%. | 95% |
| With sodium carbonate In diethyl ether; water at 0℃; for 5h; Experimental Procedure 1.1 Step 1 Step 1, 0.322 mol of Cbz-Cl was dissolved in 100 mL of diethyl ether solution,200 mL of a 10% NaCO3 aqueous solution containing 0.055 mol of L-lysine was added dropwise,After the dropwise addition to maintain the temperature 0 reaction 5h,The resulting product was acidified with an appropriate amount of 10% citric acid and extracted with trichloromethane.The product was washed with water and evaporated to give a large amount of N, N’-bis-benzyloxycarbonyl-L-lysine,The yield is about 93%. | 93% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Source: European Chemicals Agency (ECHA)
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Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database
Other Data
| Transportation | ClasUnder the room temperature and away from light |
| HS Code | |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 146.189 |
| logP | -2.896 |
| HBA | 3 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 93.79 |
| Rotatable Bond (RotB) | 5 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Often used as a preservative in food, medicine, cosmetics, etc. |
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