基本信息
- 标准SMILES
Cl.NCC(=O)CCC(=O)O- InChIKey
ZLHFONARZHCSET-UHFFFAOYSA-N- 分子式
- C5H10ClNO3
- 平均分子量
- 167.59 g/mol
- 单同位素质量
- 167.03492086
概述
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.
名称与标识
- 首选名称
- Aminolevulinic Acid Hydrochloride
- IUPAC
- 5-amino-4-oxopentanoic acid;hydrochloride
- 中文名
- 5-氨基乙酰丙酸盐酸盐
- 英文名
- 5-Aminolevulinic acid hydrochloride
- 分子式
- C5H10ClNO3
- 分子量
- 167.59
名称与别名
展开更多名称
数据库标识
- CAS
5451-09-2- PubChem CID
- 123608
- DTXSID
DTXSID5045914- ChEMBL
CHEMBL1200582- ChEBI
CHEBI:132969- UNII
- V35KBM8JGR
性质
结构计算性质
- 极性表面积
- 80.4 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 121
实验与物化性质
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
物理化学性质
- 熔点
- 150 °C · ~150 °C (dec.)
- 堆积密度
- 400 kg/m3 · 400kg/m3
- 闪点
- 155 · 155-157°C
- 储存条件
- -20 °C · -20°C
- 溶解度
- 2 O: · H2O: 50 mg/mL
- 形态
- powder
- 颜色
- White to pale yellow
- PH值
- pH (10g/l, 25℃) : 2.5~3.0
- 水溶解性
- Soluble in dimethyl sulfoxide, methanol and water.
- 敏感性
- Hygroscopic
- Decomposition
- 155 · 155-157 ºC
- Merck
- 14 · 14,446
- BRN
- 3690651 · 3690651
- 稳定性
- Hygroscopic
- 化妆品成分功效
- SKIN PROTECTINGANTIMICROBIALHAIR CONDITIONINGANTI-SEBUM
- 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
- CAS 数据库
- 5451 · 5451-09-2(CAS DataBase Reference)
安全与法规
危害信息
毒理信息
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).
安全数据
- F
- 3-8-10
- wgk
- 3
- RTECS号
- OI1640000
- hazard_note
- Irritant
- 存储类别
- 11 - Combustible Solids
- 安全说明
- 26-36/37-37/39-36
- 海关编码
- 29224999
- 危险品标志
- Xi,Xn
- 危险类别码
- 36/37/38-66-20/21/22-36/38
化学与工业
药理信息
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.
用途与制造
应用领域
用途5-氨基乙酰丙酸盐酸盐是天然氨基酸;作为四吡咯的前体用于叶绿素和血红素的生物合成;抗肿瘤药(光敏剂)。
上下游产品信息
上游原料
下游产品
试剂价格
- HY-N0305R · 5 mg
- 5-氨基乙酰丙酸盐酸盐5-Aminolevulinic acid hydrochloride (Standard) — 300元
- HY-N0305R · 10 mg
- 5-氨基乙酰丙酸盐酸盐5-Aminolevulinic acid hydrochloride (Standard) — 450元
供应商50 家
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