Uracil - Moligand™, ≥99% , CAS No.66-22-8

CAS: 66-22-8 Cat. No.: U102087 분자식: C₄H₄N₂O₂ 분자량: 112.09 Beilstein Registry Number: 507828 EC 번호: 200-621-9 PubChem CID: 1174

등급 & 순도 Moligand™, ≥99%

Synonyms

2,4-Pyrimidinedione | URACIL (USP-RS) | Uracil [USAN] | 1H-pyrimidine-2,4-dione;Uracil | 56HH86ZVCT | Pharmakon1600-01502345 | 2,4-Dihydroxypyrimidine | NCIMech_000782 | NSC29742 | NSC-29742 | Pirod | URACIL (MART.) | STK301734 | Uracil, >=99.0% (T) | 2,

Storage

Room temperature

Shipped In

Normal

개요

A pyrimidine derivative

Uracil is a pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a frequently occurring DNA base damage that results from the spontaneous or chemically induced deamination of cytosine and is mutagenic at the level of replication. Uracil could potentially alter transcriptional fidelity, resulting in production of mutant protein

사양

동의어

2,4-Pyrimidinedione | URACIL (USP-RS) | Uracil [USAN] | 1H-pyrimidine-2,4-dione;Uracil | 56HH86ZVCT | Pharmakon1600-01502345 | 2,4-Dihydroxypyrimidine | NCIMech_000782 | NSC29742 | NSC-29742 | Pirod | URACIL (MART.) | STK301734 | Uracil, >=99.0% (T) | 2,

사양 및 순도

Moligand™, ≥99%

보관 조건

Room temperature

배송

Normal

등급

Moligand™

순수함

≥99%

이름과 식별자

Pubchem Sid

488179605

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179605

정식 스마일

C1=CNC(=O)NC1=O

IUPAC Name

1H-pyrimidine-2,4-dione

InChIKey

ISAKRJDGNUQOIC-UHFFFAOYSA-N

INCHI

1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

이성체 SMILES

C1=CNC(=O)NC1=O

WGK 독일

2

RTECS

YQ8650000

PubChem CID

1174

분자량

112.09

Beilstein

507828

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: a pyrimidine-related compound - a pyrimidine base

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

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K562 (73714 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in sodium hydroxide solution, hot H2O (1 mg/ml), ammonia water, alkalies, cold water (sparingly), and 1M NaOH (50 mg/ml). Insoluble in ethanol, and ether.
• 녹는점(°C): 335°C
• 분자량: 112.090 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.027 Da
• Monoisotopic Mass: 112.027 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 161.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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