piritrexim (Cas No 72732-56-0) Moligand™ high purity and research grade

Name: piritrexim - Moligand™ , Dihydrofolate reductase inhibitor, CAS No.72732-56-0, Dihydrofolate reductase inhibitor
SKU: P612847
Availability: InStock

piritrexim - Moligand™ , Dihydrofolate reductase inhibitor, CAS No.72732-56-0, Dihydrofolate reductase inhibitor

CAS: 72732-56-0 Cat. No.: P612847 分子式: C₁₇H₁₉N₅O₂ 分子量: 325.4 PubChem CID: 54369

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GRADE & PURITY Moligand™ ?

Synonyms

Storage

Room temperature

Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビューよくある質問

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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Dihydrofolate reductase inhibitor

製品の性質

ALogP	2.1

名前と識別子

カノニカル・スマイル	CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N
IUPAC Name	6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
InChIKey	VJXSSYDSOJBUAV-UHFFFAOYSA-N
INCHI	1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
異性体SMILES	CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N
代替CAS番号	72732-56-0
PubChem CID	54369
MeSH用語	2,4-diamino-6-(2,5-dimethoxybenzyl)-5-methylpyrido(2,3-d)pyrimidine;BW 301U;BW-301U;BW301U;piritrexim;piritrexim monohydrochloride
分子量	325.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Pyridopyrimidines
    - Subclass Pyrido[2,3-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Pyridopyrimidines
Subclass	Pyrido[2,3-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrido[2,3-d]pyrimidines
Alternative Parents	Dimethoxybenzenes Phenoxy compounds Anisoles Methylpyridines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrido[2,3-d]pyrimidine - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Methylpyridine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Ether - Azacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
External Descriptors	Not available
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

3 D構造

分子量	325.400 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	325.154 Da
Monoisotopic Mass	325.154 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	412.000
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

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レビュー

よくある質問

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 room temperature.

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

The CAS Number is 72732-56-0, the molecular formula is C17H19N5O2, and the molecular weight is 325.4 g/mol. InChIKey VJXSSYDSOJBUAV-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.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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