TH 588 - ≥98%(HPLC) , CAS No.1609960-31-7

CAS: 1609960-31-7 Cat. No.: T288357 Peso molecular: 295.17 PubChem CID: 73389731
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
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 |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
T288357-1mg
3

9,90US$

14,90US$
Guardar 5,00 US$ (33.56%)
5mg
T288357-5mg
3

32,90US$

49,90US$
Guardar 17,00 US$ (34.07%)
25mg
T288357-25mg
3

120,90US$

181,90US$
Guardar 61,00 US$ (33.53%)
50mg
T288357-50mg
3

215,90US$

323,90US$
Guardar 108,00 US$ (33.34%)
100mg
T288357-100mg
2

280,90US$

421,90US$
Guardar 141,00 US$ (33.42%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos
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 |
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
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.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%(HPLC)
Nombres e identificadores
Pubchem Sid504772327
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772327
Sonrisas canónicasC1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N
IUPAC Name4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
InChIKeyPNMYJIOQIAEYQL-UHFFFAOYSA-N
INCHI1S/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)
Isómeros SMILES C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N
PubChem CID 73389731
Peso molecular 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrimidines
Alternative Parents Dichlorobenzenes  Aminopyrimidines and derivatives  Imidolactams  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
NUDT1 Tchem 7,8-dihydro-8-oxoguanine triphosphatase (11 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H358 (882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW480 (6023 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HMEC (560 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NUDT1 Tchem 7,8-dihydro-8-oxoguanine triphosphatase (280 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeFechaArticulo
G2221239Certificate of AnalysisMay 09, 2025 T288357
G2221241Certificate of AnalysisMay 09, 2025 T288357
G2221242Certificate of AnalysisMay 09, 2025 T288357
G2221243Certificate of AnalysisMay 09, 2025 T288357
G2221244Certificate of AnalysisMay 09, 2025 T288357
L2420512Certificate of AnalysisJun 11, 2022 T288357
Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 29.52, Max Conc. mM: 100
Peso molecular295.160 g/mol
XLogP33.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass294.044 Da
Monoisotopic Mass294.044 Da
Topological Polar Surface Area63.800 Ų
Heavy Atom Count19
Formal Charge0
Complexity313.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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