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1-Aminocyclopentancarbonsäure
1-AMINOCYCLOPENTANE-1-CARBOXYLIC ACID · 1-AMINO-1-CYCLOPENTANECARBOXYLIC ACID · 1-Carboxycyclopentylamine · 1-AMINOCYCLOPENTANECARBOXYLIC ACID · x201 · X 201 · cb1639 · CYCLEU
Identifikatoren & physikalische Daten
| CAS No. | 52-52-8 |
|---|---|
| Summenformel | C6H11NO2 |
| Durchschnittliche Molmasse | 129,16 g/mol |
| Monoisotopische Masse | 129,07897859 g/mol |
| SMILES | NC1(C(=O)O)CCCC1 |
| InChIKey | NILQLFBWTXNUOE-UHFFFAOYSA-N |
| PubChem CID | 2901 |
| ChEMBL | CHEMBL295830 |
| ChEBI | CHEBI:40547 |
| EC No. | 200-144-6 |
| DTXSID | DTXSID5024475 |
| Lokaler Name | 1-Aminocyclopentancarbonsäure |
Chemische & physikalische Eigenschaften
| XLogP | -2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 127 |
| Stoffklassen | Nitrogen Compounds -> Amino Carboxylic Acids |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Color/Form | CRYSTALS FROM ETHANOL & WATER |
| Löslichkeit | SOL IN WATER APPROX 5 G/100 MLDMSO: < 1 mg/mL (ultrasonic) (insoluble or slightly soluble) |
| Schmelzpunkt | 330 °C, DECOMP320 °C (dec.) (lit.) |
| Physical Description | Solid[Merck Index] Crystalline powder[Alfa Aesar MSDS] |
| Stability/Shelf Life | FORMS STABLE METAL SALTS |
| Dissociation Constants | 2.62 |
| Collision Cross Section | 126.23 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | MP 274 °C, DECOMPPRISMIC CRYSTALS FROM WATER /HYDROCHLORIDE/ |
| Siedepunkt | 239.22°C (rough estimate) |
| Dichte | 1.1426 (rough estimate) |
| Brechungsindex | 1.4827 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 2.38±0.20(Predicted) |
| Aggregatzustand | Crystalline Flakes or Powder |
| Farbe | White to beige |
| Merck | 14,2734 |
| BRN | 636626 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9) |
| InChIKey | NILQLFBWTXNUOE-UHFFFAOYSA-N |
| SMILES | NC1(CCCC1)C(O)=O |
| CAS Datenbank | 52-52-8(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopentanecarboxylic acid, 1-amino-(52-52-8) |
| EPA chemische Informationen | Cyclopentanecarboxylic acid, 1-amino- (52-52-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (94.2%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Possesses cytostatic, immunosuppressive, and antineoplastic properties[ChemIDplus] Evidence of neurotoxicity in experimental animals[HSDB] Causes urine changes in 3-day intermittent intraperitoneal studies of ratsCauses muscle weakness and hemorrhage in 15-day intermittent intravenous studies of dogsOral administration in humans causes anorexia and nausea or vomiting[RTECS] An irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (94.2%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Non-Human Toxicity Excerpts | WHEN ADDED TO CHICK EMBRYO FIBROBLAST CULTURES WHICH HAD BEEN INFECTED WITH AVIAN SARCOMA VIRUS, CYCLOLEUCINE DID NOT SIGNIFICANTLY AFFECT VIRUS YIELDS BUT INHIBITED METHYLATION OF VIRAL RNA AT 5'-TERMINAL STRUCTURES.IN BHK CELLS INFECTED WITH VESICULAR STOMATITIS VIRUS (VSV), CYCLOLEUCINE INHIBITED VIRUS SYNTHESIS BY 99% & REDUCED SIGNIFICANTLY THE SIZE OF VSV MESSENGER RNA SPECIES.TREATMENT OF DEVELOPING RATS RESULTED IN CHANGES OF BRAIN & SPINAL CORD PHOSPHOLIPID CONTENT & FATTY ACIDS. DECR IN ETHANOLAMINE PHOSPHOLIPID CONTENT & INCR IN SATURATED FATTY ACIDS OF ETHANOLAMINE PHOSPHOLIPID. MINOR FATTY ACIDS CHANGES IN PHOSPHATIDYL CHOLINE.CONSIDERABLE MYELIN SPLITTING WAS SHOWN BY ELECTRON MICROSCOPIC EXAMINATION OF THE SPINAL CORDS OF CYCLOLEUCINE-AFFECTED RATS.For more Non-Human Toxicity Excerpts (Complete) data for CYCLOLEUCINE (10 total), please visit the HSDB record page. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29224999 |
| RTECS-Nr. | GY2625000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 oral in rat: 290mg/kg |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 52-52-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Cycloleucine is a synthetic amino acid used in numerous biochemical transport studies