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  1. 홈
  2. /화합물

하이포크산틴

CID 790

HCID 790
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
68-94-0
표준 SMILES
O=c1nc[nH]c2nc[nH]c12
InChIKey
FDGQSTZJBFJUBT-UHFFFAOYSA-N
분자식
C5H4N4O
평균 분자량
136.11 g/mol
단동위원소 질량
136.03851076

개요

Hypoxanthine is a purine and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway.

이름 및 식별자

우선 이름
CID 790
IUPAC
3,7-dihydropurin-6-one
현지명
하이포크산틴
영어명
6-Hydroxypurine
분자식
C5H4N4O
분자량
136.11

이름 및 동의어

하이포크산틴하이포잔틴HYPOXANTHINE9H-PURIN-6-OLHypoxanthine,99%Hypoxanthine-d4Hypoxanthine, 99.5%3,7-dihydropurin-6-oneAzathioprine EP Impurity F1,7-DIHYDRO-6H-PURIN-6-ONE6H-Purin-6-one, 1,7-dihydro-6H-Purin-6-one, 1,9-dihydro-

데이터베이스 식별자

CAS
68-94-0
PubChem CID
790
DTXSID
DTXSID8045983

물성

구조 계산 물성

XLogP
-1.1
극성 표면적
70.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
10
형식 전하
0
복잡도
190

실험 및 물리화학적 성질

DrugsPharmaceutical
LogP-1.11
Solubility0.7 mg/mL
Melting Point150 °C
Physical DescriptionSolid
Collision Cross Section135.9 Ų [M+Na]+

물리화학적 성질

녹는점
300 °C · >300 °C (lit.)
끓는 점
250.36 °C · 250.36°C (rough estimate)
밀도
1.4295 · 1.4295 (rough estimate)
굴절률
1.85 · 1.8500 (estimate)
저장 조건
2 · 2-8°C
용해도
1 M · 1 M NaOH: 25 mg/mL
물리적 상태
가루
산도 계수 (pKa)
8.7 · 8.7(at 25℃)
색상
무색~황색~갈색, 보관 시 순도 손실 없이 어두워집니다.
냄새
냄새 없는
생물학적 소스

안전 및 규제

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

독성 정보

Treatment · 1건

Chronic Exposure: Kidney dialysis is usually needed to relieve the symptoms of xanthine toxicity until normal kidney function can be restored. Acute Exposure: EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice.

Health Effects · 1건

As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present. Chronically high concentrations of hpyoxanthine can lead to health problems such as renal failure and xanthine kidney stones, one of the rarest types of kidney stones. Chronically high levels of hypoxanthine are associated with at least 4 inborn errors of metabolism including: Xanthinuria type I, Xanthuria type II, Molybdenium Cofactor Deficiency, and Xanthinuria.

Exposure RoutesEndogenous, Ingestion, Dermal (contact)
Toxicity SummaryHypoxanthine is a poorly soluble compound. As a result high concentrations of serum hypoxanthine can lead to the formation of kidney stones which can, over the long term, induce kidney failure.
Signs and SymptomsMay lead to arthropathy, myopathy, crystal nephropathy, urolithiasis, or renal failure.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Under normal circumstances hypoxanthine is readily converted to uric acid. The enzyme xanthine oxidase makes uric acid from xanthine and hypoxanthine, which in turn are produced from other purines. In humans and higher primates, uric acid is the final oxidation (breakdown) product of purine metabolism and is excreted in urine.

Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)

용도 및 제조

UsesNaturally produced by the body (endogenous).
응용 분야 · 3건

개요Hypoxanthine is a naturally occurring purine derivative and intermediate in the synthesis of uric acid. It is elevated in the spinal fluid of patients with Lesch-Nyhan syndrome, a metabolic disorder whose symptoms include cerebral palsy, cognitive deficits, motor dysfunction, self-mutilation, and hyperuricemia. Injection of hypoxanthine (10 μM) increases succinate dehydrogenase and complex II activities and decreases cytochrome c oxidase activity, resulting in neuroenergetic impairment, ATP depletion, and cellular apoptosis in rat striatum. It is also used to induce hyperuricemia in mice for use in the development of hypouricemic agents.

용도A naturally occurring purine derivative. Pharmaceuticals, Intermediates & Fine Chemicals

일반 설명Hypoxanthine (6-hydroxypurine), a purine derivative is a naturally occurring compound. It is the deaminated form of adenine and a breakdown product of adenosine monophosphate (AMP).

상·하류 제품 정보

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
synthetic (organic)
수용성
실질적으로 불용성
비열
0.99 J/ · Cp(crystal): 0.99 J/(g·K), at 25℃
Merck
14 · 14,4869
BRN
5811 · 5811
InChI
1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
FDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES
O=C1NC=Nc2nc[nH]c12
LogP
-0.91 · -0.910 (est)
NIST
Hypoxanthine(68-94-0)
EPA
Hypoxanthine (68-94-0)

화학적 성질

White to off-white powder

wgk
3
tsca
TSCA listed
rtecs
UP0791000
독성
LD50 intraperitoneal in mouse: 750mg/kg
HS 번호
29335990
risk_code
36/37/38-22-40
hazard_code
Xn
safety_code
22-24/25-37/39-26-36
위험 참고 사항
Harmful
스토리지 클래스
11 - Combustible Solids

상류 원료

나트륨 에톡시드6-Aminothiouracil에틸 사이아노아세테이트티오요소

하류 제품

6-디메틸아미노퓨린6-N-헵틸머캅토퓨린아데닌6-머캡토퓨린6-N-헥실아미노퓨린6-에톡시퓨린6-Cyanopurine6-benzylaminopurine6-에틸메르캅토퓨린에이사이클로비르6-브로모퓨린N6-사이클로헥실라데노신6-메르캅토퓨린N-(2-히드록시에틸)아데노신6-N-부톡시프린퓨린6-벤질아미노퓨린6-요오도퓨린6-benzylaminopurine hydrochloride

공급사100 곳

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추가 설명

정의ChEBI: A purine nucleobase that consists of purine bearing an oxo substituent at position 6.