TH 588 - 10mM in DMSO , CAS No.1609960-31-7

CAS: 1609960-31-7 Cat. No.: T421937 Summenformel: C13H12Cl2N4 Molekulargewicht: 295.17 PubChem CID: 73389731
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GRADE & PURITY 10mM in DMSO
Synonyms
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 | NCGC003
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
Deutschland (EU)
USA*
Price
Qty
1ml
T421937-1ml
2 Auf Lager

79,75€

93,63€
Speichern 13,88 € (14.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

Synonyme
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 | NCGC003
Spezifikationen & Reinheit
10mM in DMSO
Biochemische und physiologische Mechanismen
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.
Storage
Store at -80°C
Verschickt in
Dry ice packs + Cold packs
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Namen und Kennungen
Pubchem Sid528767395
Kanonisches LächelnC1CC1NC2=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)
Isomere SMILES C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N
PubChem CID 73389731
Molekulargewicht 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
KlasseDiazines
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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
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
Zugehörige Ziele (nicht menschlich)
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
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

1 results found

Lot NumberCertificate TypeDatumArtikel
I2424302Certificate of AnalysisAug 12, 2026 T421937
Chemische und physikalische Eigenschaften
Molekulargewicht295.160 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
Lösungsrechner
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