Aminolevulinic Acid Hydrochloride
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기본 정보
- CAS
5451-09-2- 표준 SMILES
Cl.NCC(=O)CCC(=O)O- InChIKey
ZLHFONARZHCSET-UHFFFAOYSA-N- 분자식
- C5H10ClNO3
- 평균 분자량
- 167.59 g/mol
- 단동위원소 질량
- 167.03492086
개요
5-aminolevulinic acid hydrochloride is a hydrochloride that is the monohydrochloride of 5-aminolevulinic acid. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. It has a role as an antineoplastic agent, a photosensitizing agent, a dermatologic drug and a prodrug. It contains a 5-ammoniolevulinic acid.
이름 및 식별자
- 우선 이름
- Aminolevulinic Acid Hydrochloride
- IUPAC
- 5-amino-4-oxopentanoic acid;hydrochloride
- 영어명
- 5-Aminolevulinic acid hydrochloride
- 분자식
- C5H10ClNO3
- 분자량
- 167.59
이름 및 동의어
5-Aminolevulinic acid hydrochloride5451-09-2Aminolevulinic acid hydrochloride5-Amino-4-oxopentanoic acid hydrochlorideLevulanLevulan Kerastickdelta-Aminolevulinic acid hydrochlorideAminolevulinic Acid HClAmeluzAlaglioGleolanAlabel
이름 더 보기
5-Ala5-AMINOLEVULINIC ACID HCL5-AminolevulinicGliolaninic acid hydrochLevuL5-AminoL5-Amino-3-oxopentanoic acid (hydrochloride)
AlaCareDTXSID5045914Pentanoic acid, 5-amino-4-oxo-, hydrochlorideV35KBM8JGRNSC-18509NPC-075-AMINO-4-OXOPENTANOIC ACID HCLDTXCID3025914
데이터베이스 식별자
- CAS
5451-09-2- PubChem CID
- 123608
- DTXSID
DTXSID5045914- ChEMBL
CHEMBL1200582- ChEBI
CHEBI:132969
물성
구조 계산 물성보충 중
- 극성 표면적
- 80.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Dermatologic Agents; Photosensitizing Agents
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 150 °C · ~150 °C (dec.)
- 인화점
- 155 · 155-157°C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: 50 mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 연한 노란색
- 수소이온지수(pH)
- pH (10g/l, 25℃) : 2.5～3.0
- 수용성
- 디메틸설폭사이드, 메탄올 및 물에 용해됩니다.
- Merck
- 14 · 14,446
- BRN
- 3690651 · 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationPentanoic acid, 5-amino-4-oxo-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pentanoic acid, 5-amino-4-oxo-, hydrochloride: Environment tier I assessment
독성 정보
Exposure RoutesOral bioavailability is 50-60%.
Toxicity Summary
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 ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- 3
- rtecs
- OI1640000
- HS 번호
화학 및 산업
약리 정보
Metabolism/MetabolitesFollowing topical administration, synthesis into protoporphyrin IX takes place in situ in the skin.
Half Life: Mean half-life is 0.70 ± 0.18 h after the oral dose and 0.83 ± 0.05 h after the intravenous dose.
FDA Pharmacological Classification
AMINOLEVULINIC ACID HYDROCHLORIDE
Optical Imaging Agent [EPC]; Porphyrin Precursor [EPC]; Porphyrinogens [CS]; Fluorescence Contrast Activity [MoA]
MeSH Pharmacological Classification
Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.
용도 및 제조
UsesAminolevulinic acid plus blue light illumination using a blue light photodynamic therapy illuminator is indicated for the treatment of minimally to moderately thick actinic keratoses of the face or scalp.
응용 분야
용도5-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.
상·하류 제품 정보
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112건
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