N(4)-메톡시데옥시시티딘삼인산염

Deoxyuridine Triphosphate

HCID 65070CAS 102814-08-4

기본 정보

표준 SMILES
O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1
InChIKey
AHCYMLUZIRLXAA-SHYZEUOFSA-N
분자식
C9H15N2O14P3
평균 분자량
468.14 g/mol
단동위원소 질량
467.97361305

개요

DUTP is a deoxyuridine phosphate having a triphosphate group at the 5'-position. It has a role as an Arabidopsis thaliana metabolite, a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a deoxyuridine phosphate and a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dUTP(3-).

이름 및 식별자

우선 이름
Deoxyuridine Triphosphate
IUPAC
[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
영어명
2'-Deoxyuridine-5'-triphosphate trisodium salt
분자식
C9H16N2NaO14P3
분자량
492.14

이름 및 동의어

dUTPDeoxyuridine triphosphate1173-82-62'-Deoxyuridine 5'-triphosphatedeoxy-UTP[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateCHEBI:176252'-deoxyuridine 5'-(tetrahydrogen triphosphate)2'-Deoxyuridine-5'-triphosphorate(((2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphateRefChem:585755(((((((2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid
이름 더 보기
2'-dUTP2’dUTP,3NadUTP.Na3-C-βAids052149Aids-052149-Deoxy-β-Epi 2&rsquo
2'-deoxyuridine-5'-triphosphate102814-08-4DEOXYURIDINE-5'-TRIPHOSPHATEDeoxyuridine 5'-triphosphate2'-Deoxyuridine-5'-triphosphoric acid2'-Deoxyuracil 5'-triphosphate2'-Deoxyuridine-5'-triphosphate trisodium saltCHEMBL374361

데이터베이스 식별자

CAS
102814-08-4、1173-82-6、91918-34-2
PubChem CID
65070
DTXSID
DTXSID60908053
ChEMBL
CHEMBL374361
ChEBI
CHEBI:17625
Nikkaji
J315.490D

물성

구조 계산 물성

XLogP
-5.5
극성 표면적
239 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
14
회전 가능 결합 수
8
무거운 원자 수
28

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section · 2건

188.9 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

188.9 Ų [M-2H+Na]-

물리화학적 성질

녹는점
150 o · >150o C (Dec.)
저장 조건
-20 °C · -20°C
용해도
메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태
가루
색상
하얀색
생물학적 소스
synthetic (organic)

화학적 성질

2'-Deoxyuridine-5'-triphosphate trisodium salt is White powder

안전 및 규제

독성 정보

Toxicity Summary · 1건

Deoxyuridine triphosphate (dUTP) can be misincorporated into DNA and cause DNA damage. The extent of DNA damage caused by dUTP is dependent on the levels of the pyrophosphatase dUTPase and uracil-DNA glycosylase (UDG). DNA damage due to dUTP misincorporation is highly dependent on the levels of the pyrophosphatase dUTPase, which limits intracellular accumulation of dUTP. (A4337) Also, loss of viability following thymidylate synthase (TS) inhibition occurs as a consequence of accumulation of dUTP in some cell lines and subsequent misincorporation of uracil into DNA. (PMCID: PMC2364072)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
1
HS 번호
29349990
risk_code
36/37/38
safety_code
26-36
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

Tissue LocationsEpidermis
Cellular LocationsMitochondria
Metabolite PathwaysBeta Ureidopropionase Deficiency

용도 및 제조

UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
응용 분야 · 1건

용도2'-Deoxyuridine-5'-triphosphate trisodium salt may be used to study the distribution, specificity and kinetics of deoxyuridine 5′-triphosphate nucleotidohydrolase(s). 2'-Deoxyuridine-5'-triphosphate trisodium salt is important enzymes that protect cells from the incorporation of dUTP into DNA.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

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24건

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