Deoxyuridine Triphosphate

DUTP · 2'-dUTP · 2’dUTP,3Na · dUTP.Na3 · -C-βAids052149 · Aids-052149 · -Deoxy-β-Epi 2&rsquo

https://huagongshe.com/ko/chemical/65070

식별자 및 물리적 특성

CAS No.	102814-08-4
분자식	C9H15N2O14P3
평균 분자량	468.14 g/mol
단동위원소 질량	467.97361305 g/mol
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
PubChem CID	65070
ChEMBL	CHEMBL374361
ChEBI	CHEBI:17625
DTXSID	DTXSID60908053

화학 및 물리적 성질

XLogP	-5.5
극성 표면적	239
수소 결합 공여자 수	6
수소 결합 수용자 수	14
회전 가능 결합 수	8
무거운 원자 수	28
형식 전하	0
복잡도	808
물질 분류	Biological Agents -> Nucleic Acids and Derivatives
의약품	Pharmaceuticals -> Listed in ZINC15
Physical Description	Solid
Collision Cross Section	188.9 Å² [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]188.9 Å² [M-2H+Na]-
녹는점	>150o C (Dec.)
저장 조건	-20°C
용해도	메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태	가루
색상	하얀색
생물학적 소스	synthetic (organic)
용해도	물에 용해됩니다.
안정성	흡습성
InChIKey	FVFWWPFKJNTHIQ-BAJMBWAYNA-N
SMILES	O=C1NC(=O)C=CN1[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1.[NaH] \|&1:8,10,12,r\|

화학적 성질

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

안전 및 규제

독성 요약	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 Classification	No indication of carcinogenicity to humans (not listed by IARC).
수질 위해 등급(WGK)	1
관세 코드	29349990
위험 문구(R)	36/37/38
안전 문구(S)	26-36
저장 분류	11 - Combustible Solids

용도

2'-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.