티미딘 - 몰리간드™, ≥99% , CAS No.50-89-5

CAS: 50-89-5 Cat. No.: T104771 분자식: C₁₀H₁₄N₂O₅ 분자량: 242.23 Beilstein Registry Number: 89285 EC 번호: 200-070-4

GRADE & PURITY Moligand™, ≥99%

Synonyms

EINECS 200-070-4 | DB04485 | 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | SR-01000883981 | EN300-

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

티미딘은 피리미딘 데옥시뉴클레오사이드라고도 합니다. 데옥시티미딘은 DNA에 존재하는 뉴클레오시드입니다. DNA 이중 가닥 구조에서 티미딘은 데옥시아데니노신과 짝을 이룹니다. 이는 S-단계 동안 세포 동기화에 유용합니다. 피리미딘의 회수 경로에서 피리미딘 포스포릴라제는 티민을 티미딘으로 가역적으로 전환합니다.
티미딘(dT)은 피리미딘 데옥시리보사이드(데옥시뉴클레오사이드)로, 순차적으로 인산화되어 데옥시티미딘 트리포스페이트(dTTP)로 전환되면 DNA와 전달 RNA의 T-루프를 합성하는 데 사용됩니다. 티미딘은 티미딘 키나아제 EC 2.7.1.21의 기질로서 ATP에서 유래한 인산염으로 뉴클레오시드를 인산화합니다. dT는 티미딘 키나아제 계열의 분포, 특이성 및 동력학을 연구하는 데 사용될 수 있습니다.

Specifications

동의어

EINECS 200-070-4 | DB04485 | 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | SR-01000883981 | EN300-

사양 및 순도

몰리간드™, ≥99%

생화학 및 생리적 메커니즘

피리미딘 데옥시뉴클레오사이드. 강력한 티미딘 키나아제 기질(IC 50 = 16 nM). 이중 가닥 DNA에서 데옥시아데노신과 짝을 이룹니다. 생체 내에서 S 단계의 세포를 동기화합니다.

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

등급

Moligand™

작업 유형

INHIBITOR

참고

가능하면 당일에 용액을 준비하여 사용하는 것이 좋습니다. 그러나 미리 원액을 만들어야 하는 경우에는 -20°C에서 단단히 밀봉된 바이알에 소량씩 보관하는 것이 좋습니다. 일반적으로 최대 한 달 동안 사용할 수 있습니다. 사용하기 전에 바이알을 개봉하기 전에 제품을 실온에서 1시간 이상 평형화할 것을 권장합니다. 용해도, 사용법 및 취급에 대한 추가 정보가 필요하신가요? 자주 묻는 질문(FAQ) 페이지에서 자세한 내용을 확인하세요.

순수함

≥99%

이름과 식별자

Pubchem Sid

488179935

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179935

정식 스마일

CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O

IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

IQFYYKKMVGJFEH-XLPZGREQSA-N

INCHI

1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

이성체 SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O

WGK 독일

3

RTECS

XP2071000

분자량

242.23

Beilstein

89285

Reaxy-Rn

889638

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=889638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Pyrimidones Hydroxypyrimidines Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Pyrimidone - Hydroxypyrimidine - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• External Descriptors: Deoxyribonucleosides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

TK1 Tchem Thymidine kinase, cytosolic (2 Activities)

Discover Target: TK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TYMS Tclin Thymidylate synthase (1651 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TK1 Tchem Thymidine kinase, cytosolic (627 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

143B (353 Activities)

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CCRF-CEM (65223 Activities)

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CFPAC-1 (421 Activities)

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HL-60 (67320 Activities)

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MT4 (17854 Activities)

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ATH-8 cell line (300 Activities)

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HEL (6614 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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SLC22A1 Tchem Solute carrier family 22 member 1 (646 Activities)

Discover Target: SLC22A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD2 Tchem ATPase family AAA domain-containing protein 2 (598 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DCLRE1A Tbio DNA cross-link repair 1A protein (19 Activities)

Discover Target: DCLRE1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

TK Thymidine kinase (276 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

tmk Thymidylate kinase (360 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

dnk Deoxynucleoside kinase (95 Activities)

Discover Target: dnk

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

deoA Thymidine phosphorylase (531 Activities)

Discover Target: deoA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Enterococcus faecium (13803 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Human alphaherpesvirus 2 (4932 Activities)

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Artemia (698 Activities)

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Mus musculus (284745 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Human adenovirus 2 (239 Activities)

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Human immunodeficiency virus 2 (5592 Activities)

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L1210 (27553 Activities)

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Vero (26788 Activities)

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MC-38 (857 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KBALB cell line (25 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L929 (3802 Activities)

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LM (36 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, methanol, hot ethanol, hot acetone, hot ethyl acetate, pyridine, glacial acetic acid and hydrochloric acid. Slightly soluble in hot chloroform .
• 감도: Light sensitive;Hygroscopic
• 특정 회전[α]: 33 ° (C=1, 1mol/L NaOH)
• 녹는점(°C): 183-191°C
• 분자량: 242.230 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.09 Da
• Monoisotopic Mass: 242.09 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 381.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 50-89-5, the molecular formula is C10H14N2O5, and the molecular weight is 242.23 g/mol. InChIKey IQFYYKKMVGJFEH-XLPZGREQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.