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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 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
Ice chest + Ice pads
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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 Store at -20°C Ships Ice chest + Ice pads 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 동의어
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 |
생화학 및 생리적 메커니즘
Potent MTH1 inhibitor (IC50= 5 nM). Induces oxidative DNA damage and reduces survival in cancer cells. Inhibits growth of breast and colorectal cancer xenografts in mice.
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
이름과 식별자 Pubchem Sid 504772327 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772327 정식 스마일 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) 이성체 SMILES C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N PubChem CID 73389731 분자량 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 분류 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 설명 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.
3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 용해성 Solvent:DMSO, Max Conc. mg/mL: 29.52, Max Conc. mM: 100 분자량 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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