L-Carnosine CAS#: 305-84-0; 凯望编码 (ChemWhat Code): 354838
Identification
| 英文名 | L-Carnosine |
| IUPAC Name | (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid |
| 分子结构 |  |
| CAS编号 | 305-84-0 |
| EINECS Number | 206-169-9 |
| MDL Number | MFCD00005207 |
| Beilstein Registry Number | 87671 |
| 别名 | carnosineL-carnosineCar |
| 分子式 | C9H14N4O3 |
| 分子量 | 226.23 |
| InChI | InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 |
| InChI Key | CQOVPNPJLQNMDC-ZETCQYMHSA-N |
| Canonical SMILES | c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2020/54061 | METHODS AND COMPOSITIONS FOR RAPIDLY DECREASING EPIGENETIC AGE AND RESTORATION OF MORE YOUTHFUL FUNCTION | 2020 |
| WO2017/162267 | MEDICAMENT | 2017 |
| US2016/166488 | MEDICAMENT | 2016 |
Physical Data
| Appearance | White powder |
| Solubility | almost transparency |
| Refractive index | 21 ° (C=2, H2O) |
| Melting Point, °C |
| 258 |
| 251 – 252 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | water-d2 | 300 | |
| Chemical shifts | 15N | solid | 30.412 | |
| Spectrum | 1H | D2O | ||
| Spectrum | 1H | D2O | 24.9 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| Bands | potassium bromide | |
| Bands, Spectrum | potassium bromide | |
| Bands | KBr | pH dependence. Object(s) of Study: in the presence of inorganic compounds |
| Description (Mass Spectrometry) |
| high resolution mass spectrometry (HRMS), liquid chromatography mass spectrometry (LCMS), IT (ion trap), electrospray ionisation (ESI), fragmentation pattern, spectrum |
| liquid chromatography mass spectrometry (LCMS), electrospray ionisation (ESI), tandem mass spectrometry, fragmentation pattern, spectrum |
| electrospray ionisation (ESI), fragmentation pattern, spectrum |
| LCMS (Liquid chromatography mass spectrometry), Tandem mass spectrometry, Spectrum |
| Description (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | |
| Band assignment, Spectrum | 214, 264 |
| Description (Raman Spectroscopy) | Comment (Raman Spectroscopy) |
| Bands | pH dependence. Object(s) of Study: in the presence of inorganic compounds |
Route of Synthesis (ROS)
| Conditions | Yield |
| With water; sodium hydroxide In methanol at 25 – 60℃; for 3h; Solvent; | 99.7% |
| With sodium hydroxide In water at 23 – 83℃; for 3h; Solvent; Temperature; | 96.8% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| SDS Download | English Version |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 293329 |
| Storage | Store at room temperature and away from light. |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 226.235 |
| logP | -4.099 |
| HBA | 7 |
| HBD | 4 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 121.1 |
| Rotatable Bond (RotB) | 7 |
| Matching Veber Rules | 2 |
| Quantitative Results | ||
| 1 of 2 | Effect | behavioral symtoms |
| Route of Application | intracerebroventricular | |
| Kind of Dosing (Ecotoxicology) | title comp. dissolved in 0.85percent saline containing 0.1percent Evans Blue solution; admin. in a volume of 10 ml using a microsyringe into lateral ventricle | |
| Method (Ecotoxicology) | layer chicks admin. with title comp. alone or in combination with HA; behavioral symptoms (active wakefulness (1), standing/sitting motionless with eyes opened (2), standing motionless with eyes closed (3), sleeping posture (4)) obsd. for 10 min | |
| Results | title comp. showed significant effects in active wakefulness and sleeping posture; combination effects of title comp. and HA were similar to title comp. alone; table | |
| 2 of 2 | Effect (Ecotoxicology) | behavioral symtoms |
| Further Details (Ecotoxicology) | control: saline; further investigations with selective and non-selective nitric oxide synthase (NOS) inhibitors administered i.c.v. | |
| Results | title comp. significantly induced spontaneous activity; effect may be linked to constitutive NOS rather than inducible NOS in brain |
| Use Pattern |
| preparation of antioxidant |
| preparation of whitening products |
| preparation of medicament for colon cancer metastasis |
| caring for lips |
| Cosmetics/dental/toilet |
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认证生产商 | |
| Apnoke Scientific Ltd | http://www.apnoke.com/ |
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