Ormetoprim - ≥98%(HPLC)(T) , CAS No.6981-18-6

CAS: 6981-18-6 Cat. No.: O159934 分子式: C₁₄H₁₈N₄O₂ 分子量: 274.32 EC番号: 230-246-6

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

5-(4,5-dimethoxy-2-methyl-benzyl)-pyrimidine-2,4-diamine | 5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine | AS-71719 | 2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidin | O0424 | Ormetoprime (INN-French) | 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

5-(4,5-dimethoxy-2-methyl-benzyl)-pyrimidine-2,4-diamine | 5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine | AS-71719 | 2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidin | O0424 | Ormetoprime (INN-French) | 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-

仕様と純度

≥98%(HPLC)(T)

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)(T)

名前と識別子

パブケム・シド

504753125

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753125

カノニカル・スマイル

CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC

IUPAC Name

5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine

InChIKey

KEEYRKYKLYARHO-UHFFFAOYSA-N

INCHI

1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)

異性体SMILES

CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC

分子量

274.32

Reaxy-Rn

760209

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=760209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Toluenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Toluene - Pyrimidine - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

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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P2rx3 P2X purinoceptor 3 (632 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: 1.609
• 引火点（°C）: 269.2°C
• 沸点（°C）: 521.5°C at 760 mmHg
• 融点（°C）: 233°C
• 分子量: 274.320 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 274.143 Da
• Monoisotopic Mass: 274.143 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 305.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 6981-18-6, the molecular formula is C14H18N4O2, and the molecular weight is 274.32 g/mol. InChIKey KEEYRKYKLYARHO-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.