Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Cycloleucine
1-AMINOCYCLOPENTANE-1-CARBOXYLIC ACID · 1-AMINO-1-CYCLOPENTANECARBOXYLIC ACID · 1-Carboxycyclopentylamine · 1-AMINOCYCLOPENTANECARBOXYLIC ACID · x201 · X 201 · cb1639 · CYCLEU
식별자 및 물리적 특성
| CAS No. | 52-52-8 |
|---|---|
| 분자식 | C6H11NO2 |
| 평균 분자량 | 129.16 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | -2.6 |
|---|---|
| 극성 표면적 | 63.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 127 |
| 물질 분류 | Nitrogen Compounds -> Amino Carboxylic Acids |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| Color/Form | CRYSTALS FROM ETHANOL & WATER |
| 용해도 | SOL IN WATER APPROX 5 G/100 MLDMSO: < 1 mg/mL (ultrasonic) (insoluble or slightly soluble) |
| 녹는점 | 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/ |
| 끓는 점 | 239.22°C (rough estimate) |
| 밀도 | 1.1426 (rough estimate) |
| 굴절률 | 1.4827 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | 2.38±0.20(Predicted) |
| 물리적 상태 | 결정질 플레이크 또는 분말 |
| 색상 | 흰색에서 베이지색 |
| 용해도 | 5g/100mL |
| Merck | 14,2734 |
| BRN | 636626 |
| 주요 응용 | 펩타이드 합성 |
| 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 |
| NIST | Cyclopentanecarboxylic acid, 1-amino-(52-52-8) |
| EPA | Cyclopentanecarboxylic acid, 1-amino- (52-52-8) |
화학적 성질
WHITE TO BEIGE CRYSTALLINE FLAKES OR POWDER
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 유해성 요약 | 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%) |
| 유해 작용 | 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. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GY2625000 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 독성 | LD50 oral in rat: 290mg/kg |
| 관세 코드 | 29224999 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 22-24/25 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 Oral |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 유해 물질 데이터 | 52-52-8(Hazardous Substances Data) |
용도
용도
Cycloleucine is a synthetic amino acid used in numerous biochemical transport studies
일반 설명
Cycloleucine is a nonmetabolizable amino acid widely used as a building block in peptide synthesis.