1,3-Dimethyluric acid - ≥98% , CAS No.944-73-0

CAS: 944-73-0 Cat. No.: D123032 분자식: C₇H₈N₄O₃ 분자량: 196.16 Beilstein Registry Number: 193698 EC 번호: 213-410-1

GRADE & PURITY ≥98%

Synonyms

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3-dimethyl- | W-204108 | 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione | THEOPHYLLINE IMPURITY E [EP IMPURITY] | THEOPHYLLINE MONOHYDRATE IMPURITY E [EP IMPURITY] | 1,3-DMUA | AKOS015913314 | 1,3-Dimethyluric acid |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1,3-dimethyl- | W-204108 | 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione | THEOPHYLLINE IMPURITY E [EP IMPURITY] | THEOPHYLLINE MONOHYDRATE IMPURITY E [EP IMPURITY] | 1,3-DMUA | AKOS015913314 | 1,3-Dimethyluric acid |

사양 및 순도

≥98%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488184529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184529
• 정식 스마일: CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2
• IUPAC Name: 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
• InChIKey: OTSBKHHWSQYEHK-UHFFFAOYSA-N
• INCHI: 1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
• 이성체 SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2
• WGK 독일: 2
• RTECS: UP0783700
• 분자량: 196.16
• Beilstein: 193698
• Reaxy-Rn: 193698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=193698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• External Descriptors: oxopurine

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(비인간)

Bos taurus (956 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO
• 녹는점(°C): ≥300 °C
• 분자량: 196.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.06 Da
• Monoisotopic Mass: 196.06 Da
• Topological Polar Surface Area: 81.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 386.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °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 in an insulated container with ice pads. 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 944-73-0, the molecular formula is C7H8N4O3, and the molecular weight is 196.16 g/mol. InChIKey OTSBKHHWSQYEHK-UHFFFAOYSA-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.