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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock TH 588 - ≥98%(HPLC) , CAS No.1609960-31-7
Synonyms
TH588 | PNMYJIOQIAEYQL-UHFFFAOYSA-N | (4I+/-)-a?I+/-,a?I(2),a?3-atrihydroxy-aurs-a?2-aen-a?8-aoic acid | 2,4-PYRIMIDINEDIAMINE, N4-CYCLOPROPYL-6-(2,3-DICHLOROPHENYL)- | BCP10995 | BDBM50152124 | HY-12814 | AC-33078 | AKOS026750322 | EX-A650 | CCG-267821 |
Shipped In
Glacière + blocs de glace
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Conserver à -20°C Ships Glacière + blocs de glace 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 Synonymes
TH588 | PNMYJIOQIAEYQL-UHFFFAOYSA-N | (4I+/-)-a?I+/-,a?I(2),a?3-atrihydroxy-aurs-a?2-aen-a?8-aoic acid | 2,4-PYRIMIDINEDIAMINE, N4-CYCLOPROPYL-6-(2,3-DICHLOROPHENYL)- | BCP10995 | BDBM50152124 | HY-12814 | AC-33078 | AKOS026750322 | EX-A650 | CCG-267821 |
Spécifications et pureté
≥98%(HPLC)
Mécanismes biochimiques et physiologiques
Puissant inhibiteur de MTH1 (IC50= 5 nM). Induit des dommages oxydatifs à l'ADN et réduit la survie des cellules cancéreuses. Inhibe la croissance des xénogreffes de cancer du sein et de cancer colorectal chez la souris.
Conditions de stockage de stockage
Conserver à -20°C
Expédié en
Glacière + blocs de glace
Noms et identifiants Pubchem Sid 504772327 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772327 Sourires canoniques C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N IUPAC Name 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine InChIKey PNMYJIOQIAEYQL-UHFFFAOYSA-N INCHI 1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) Isomères SMILES C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N PubChem CID 73389731 Poids moléculaire 295.17
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Classe Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents Dichlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 4-phenylpyrimidine - 1,2-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Amine - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Solubilité Solvent:DMSO, Max Conc. mg/mL: 29.52, Max Conc. mM: 100 Poids moléculaire 295.160 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 294.044 Da Monoisotopic Mass 294.044 Da Topological Polar Surface Area 63.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 313.000 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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