기본 정보
- 표준 SMILES
CCCCCCOC(=O)CCC(=O)CN- InChIKey
RYQOILLJDKPETL-UHFFFAOYSA-N- 분자식
- C11H21NO3
- 평균 분자량
- 215.29 g/mol
- 단동위원소 질량
- 215.15214353
개요
5-aminolevulinic acid hexyl ester is an organonitrogen compound and an organooxygen compound. It is functionally related to a delta-amino acid.
이름 및 식별자
- 우선 이름
- 5-Aminolevulinic acid hexyl ester
- IUPAC
- hexyl 5-amino-4-oxopentanoate
- 현지명
- 5-아미노레불린산헥실에스테르
- 영어명
- 5-aminolevulinic acid hexyl ester
- 분자식
- C11H21NO3
- 분자량
- 215.29
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
140898-97-1- PubChem CID
- 6433083
- DTXSID
DTXSID40161487- ChEMBL
CHEMBL1201784- ChEBI
CHEBI:134892- UNII
- G7H20TKI67
- Nikkaji
- J1.058.793J
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 192
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 313.2 · 313.2±22.0 °C(Predicted)
- 밀도
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.24 · 7.24±0.29(Predicted)
안전 및 규제
독성 정보
화학 및 산업
약리 정보
ATC Code
V - Various
QV - Various
Pharmacodynamics
In vitro studies have shown increased porphyrin fluorescence in normal urothelium after exposure to hexaminolevulinate hydrochloride intravesical solution. In the human bladder, a greater accumulation of porphyrins is proposed in neoplastic or inflamed cells, compared to normal urothelium. After bladder instillation of hexaminolevulinate hydrochloride intravesical solution for approximately 1 hour and subsequent illumination with blue light at wavelengths 360 – 450nm, the porphyrins will fluoresce red.
Mechanism of Action
Hexaminolevulinate is an ester of the heme precursor, aminolevulinic acid. After bladder instillation, hexaminolevulinate enters the bladder mucosa and is proposed to enter the intracellular space of mucosal cells where it is used as a precursor in the formation of the photoactive intermediate protoporphyrin IX (PpIX) and other photoactive porphyrins (PAPs). PpIX and PAPs are reported to accumulate preferentially in neoplastic cells as compared to normal urothelium, partly due to altered enzymatic activity in the neoplastic cells. After excitation with light at wavelengths between 360 and 450 nm, PpIX and other PAPs return to a lower energy level by fluorescing, which can be detected and used for cystoscopic detection of lesions. The fluorescence from tumor tissue appears bright red and demarcated, whereas the background normal tissue appears dark blue. Similar processes may occur in inflamed cells.
공급사5 곳
관련 반응
연결된 노트
불러오는 중…