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Choline C-11

HCID 449688
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
87591-54-6
표준 SMILES
C[N+](C)([11CH3])CCO
InChIKey
OEYIOHPDSNJKLS-BJUDXGSMSA-N
분자식
C5H14NO+
평균 분자량
103.17 g/mol
단동위원소 질량
103.1189717

개요

(11)C-choline is a choline in which one of the methyl carbons is replaced by an 11C isotope. An intravenous radioactive diagnostic agent used (in the form of its chloride salt) as a tracer during positron emission tomography scans to help detect sites of recurrent prostate cancer. It has a role as a radioactive tracer and a radioactive imaging agent. It is an (11)C-modified compound and a member of cholines.

이름 및 식별자

우선 이름
Choline C-11
IUPAC
2-hydroxyethyl-dimethyl-(111C)methylazanium

이름 및 동의어

CHOLINE C-11Choline C11(11)C-CholineUNII-M4AS4XGD4QCholine c-11 ionCholine c-11 cation[N-methyl-(11)C]cholineCHEBI:72322DTXSID1024162411C-cholineCholine (11C)(N-methyl-(11)C)choline
이름 더 보기
RefChem:56798DTXCID40164115Choline C 1194793-58-5M4AS4XGD4QEthanaminium, 2-hydroxy-N,N-dimethyl-N-(methyl-11C)-2-hydroxyethyl-dimethyl-(111C)methylazaniumSCHEMBL14330721

데이터베이스 식별자

CAS
87591-54-6、94793-58-5
PubChem CID
449688
DTXSID
DTXSID10241624
ChEMBL
CHEMBL2095207
ChEBI
CHEBI:72322
UNII
M4AS4XGD4Q
Nikkaji
J2.045.747C

물성

구조 계산 물성

XLogP
-0.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
7
형식 전하
1
복잡도
46.5

실험 및 물리화학적 성질

SolubilitySoluble
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Choline c-11

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

화학 및 산업

약리 정보

Pharmacodynamics · 2건

Choline is phosphorylated by choline kinase into phosphorylcholine. This phosphorylated form gets trapped inside the cell. Cancer cells exhibit an increased cell wall membrane synthesis as well as an increased activity of choline kinase. Choline C11 presents a small tracer activity in the urinary collecting system and this property makes it a very noble compound in the evaluation of ureters and bladder.

In a study of men with prostatic hyperplasia or primary prostate cancer, PET imaging showed 11C-choline radioactivity accumulated rapidly within the prostate; uptake appeared to peak by five minutes following injection of the drug and activity was retained over the subsequent 30 minute scanning period. Little uptake was observed in the bladder and rectum.

Mechanism of Action · 2건

Choline is incorporated into phosphatidylcholine which is a major membrane phospholipid in mammalian cells. The use of choline C11 is based on the knowledge that malignant tumors with increased cellular proliferation take up more choline when compared with normal cells for the formation of cellular membranes. The increased uptake of choline is explained by its use as a substrate in phospholipid synthesis in cell membranes, transmembrane signaling, and lipid and cholesterol transport and metabolism.

Choline C 11 Injection is a radiolabeled analog of choline, a precursor molecule essential for the biosynthesis of cell membrane phospholipids. Choline is involved in synthesis of the structural components of cell membranes, as well as modulation of trans-membrane signaling. Increased phospholipid synthesis (i.e., increased uptake of choline) has been associated with cell proliferation and the transformation process that occurs in tumor cells.

Biological Half-LifeThe isotope half-life of choline C11 is 20.4 min.
Metabolism/Metabolites · 2건

Choline C11 is phosphorylated by choline kinase and incorporated into phospholipids in the body. In some of the tissues, choline oxidation is prominent. The oxidative metabolite of choline is betaine which is the major metabolite of choline C11. A small portion of the administered dose remains unchanged 40 minutes after administration.

Following intravenous administration, 11C-choline undergoes metabolism resulting in the detection of 11C- betaine as the major metabolite in blood. In a study of patients with prostate cancer or brain disorders, the fractional activities of 11C-choline and 11C- betaine in human arterial plasma appeared to reach a plateau within 25 minutes, with 11C- betaine representing 82% ± 9% of the total 11C detected at that time point. A small amount of unmetabolized 11C-choline was detected within the blood at the final sampling time point (40 minutes).

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
FDA Pharmacological Classification · 6건

M4AS4XGD4Q

CHOLINE C-11

Established Pharmacologic Class [EPC] - Radioactive Diagnostic Agent

Mechanisms of Action [MoA] - Radiopharmaceutical Activity

Choline c-11 is a Radioactive Diagnostic Agent. The mechanism of action of choline c-11 is as a Radiopharmaceutical Activity.

CHOLINE C-11

Absorption, Distribution and Excretion · 6건

The highest normal tissue uptake is seen in renal cortex, liver, pancreas and salivary glands. It presents a variable bowel, prostate and pituitary uptake and a low uptake in the cerebral cortex. The short half-life of choline C11 limits the availability and it is recommended to be delivered within 2-3 half-lives from producing cyclotron.

Choline 11 presents a minimal urinary excretion and it represents <2% of the injected radioactivity. After intravenous administration, choline C11 gets rapidly cleared from the circulation (<3 min) with a high clearance by liver and kidneys. The oxidation metabolite of choline, named betaine, is excreted into the urine.

After intravenous injection, choline C11 is rapidly cleared from the bloodstream. The clearance rate of choline C11 is or 0.014 ml/min.

Urinary excretion of 11C-choline was < 2% of the injected radioactivity at 1.5 hours after injection of the drug.

11C-choline distributes mainly to the pancreas, kidneys, liver, spleen and colon

The rate of 11C- choline excretion in urine was 0.014 mL/min.