Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Aminolevulinic Acid Hydrochloride
5-Ala · 5-AMINOLEVULINIC ACID HCL · 5-AMINO-4-OXOPENTANOIC ACID HYDROCHLORIDE · 5-Aminolevulinic · Gliolan · inic acid hydrochL · DELTA-AMINOLEVULINIC ACID HYDROCHLORIDE · evuL
식별자 및 물리적 특성
| CAS No. | 5451-09-2 |
|---|---|
| 분자식 | C5H10ClNO3 |
| 평균 분자량 | 167.59 g/mol |
| 단동위원소 질량 | 167.03492086 g/mol |
| SMILES | Cl.NCC(=O)CCC(=O)O |
| InChIKey | ZLHFONARZHCSET-UHFFFAOYSA-N |
| PubChem CID | 123608 |
| ChEMBL | CHEMBL1200582 |
| ChEBI | CHEBI:132969 |
| DTXSID | DTXSID5045914 |
화학 및 물리적 성질
| 극성 표면적 | 80.4 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 121 |
| Human Drugs | Breast FeedingLactationMilk, HumanDermatologic AgentsPhotosensitizing AgentsFDA approved drugs -> Active ingredientEMA approved medicines: Human medicine |
| 녹는점 | ~150 °C (dec.) |
| 인화점 | 155-157°C |
| 저장 조건 | -20°C |
| 용해도 | H2O: 50 mg/mL |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 연한 노란색 |
| pH | pH (10g/l, 25℃) : 2.5～3.0 |
| 용해도 | 디메틸설폭사이드, 메탄올 및 물에 용해됩니다. |
| Merck | 14,446 |
| BRN | 3690651 |
| 안정성 | 흡습성 |
| 화장품 원료 기능 | 피부 보호항균헤어 컨디셔닝피지 억제 |
| InChI | 1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)1H |
| InChIKey | ZLHFONARZHCSET-UHFFFAOYSA-N |
| SMILES | Cl[H].NCC(=O)CCC(O)=O |
화학적 성질
white to pale yellow crystals or
안전 및 규제
| 규제 정보 | Pentanoic acid, 5-amino-4-oxo-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| 기타 안전 정보 | IMAP assessments - Pentanoic acid, 5-amino-4-oxo-, hydrochloride: Environment tier I assessment |
| 노출 경로 | Oral bioavailability is 50-60%. |
| 독성 요약 | According to the presumed mechanism of action, photosensitization following application of aminolevulinic acid (ALA) topical solution occurs through the metabolic conversion of ALA to protoporphyrin IX (PpIX), which accumulates in the skin to which aminolevulinic acid has been applied. When exposed to light of appropriate wavelength and energy, the accumulated PpIX produces a photodynamic reaction, a cytotoxic process dependent upon the simultaneous presence of light and oxygen. The absorption of light results in an excited state of the porphyrin molecule, and subsequent spin transfer from PpIX to molecular oxygen generates singlet oxygen, which can further react to form superoxide and hydroxyl radicals. Photosensitization of actinic (solar) keratosis lesions using aminolevulinic acid, plus illumination with the BLU-UTM Blue Light Photodynamic Therapy Illuminator (BLU-U), is the basis for aminolevulinic acid photodynamic therapy (PDT). |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | OI1640000 |
| 관세 코드 | 29224999 |
| 위험 문구(R) | 36/37/38-66-20/21/22-36/38 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36/37-37/39-36 |
| 기존화학 물질 | KE-05-0127 |
| F 고인화성물질 | 3-8-10 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
5-Aminolevulinic acid hydrochloride finds an important role as a precursor in the synthesis of tetrapyrroles such as chlorophyll and heme. It is widely utilized in photodynamic therapy of diseases namely, Pagets disease and human papillomavirus (HPV) infection-associated cervical condylomata acuminata.