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TH287 - ≥98% , CAS No.1609960-30-6

CAS: 1609960-30-6 Cat. No.: T305079 Molecular Weight: 269.13 PubChem CID: 73441664
COA
TH287 - ≥98% CAS No(1609960-30-6) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SCHEMBL15757374 | (S)-N-(6-chloro-5-(2-(5-(2-fluoro-4-methylphenyl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2?,3?:2,3]imidazo[4,5-c]pyridin-6(5H)-yl)- 2-oxoethoxy)pyridin-2-yl)methanesulfonamide | UNII-R6DCB5MSM2 | TH287 | TH-287 | CCG-267139 | Q27452986
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
T305079-5mg
2

$70.90

$106.90
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10mg
T305079-10mg
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$91.90

$137.90
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25mg
T305079-25mg
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$118.90

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50mg
T305079-50mg
2

$200.90

$301.90
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100mg
T305079-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$340.90

$511.90
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250mg
T305079-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$645.90

$968.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

≥98% 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.

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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

Synonyms
SCHEMBL15757374 | (S)-N-(6-chloro-5-(2-(5-(2-fluoro-4-methylphenyl)-2-methyl-7, 8-dihydro-[1, 3, 4]thiadiazolo[2?, 3?:2, 3]imidazo[4, 5-c]pyridin-6(5H)-yl)- 2-oxoethoxy)pyridin-2-yl)methanesulfonamide | UNII-R6DCB5MSM2 | TH287 | TH-287 | CCG-267139 | Q27452986
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
TH287 is a potent inhibitor of human 7, 8-Dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1) with an IC50 value of 0.8 nM. MTH1 hydrolyzes oxidized purine nucleoside triphosphates that might otherwise be incorporated into DNA/RNA and contribute to DNA damage.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid504772332
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772332
Canonical SmilesCNC1=NC(=NC(=C1)C2=C(C(=CC=C2)Cl)Cl)N
IUPAC Name6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine
InChIKeyURWCXPXBBITYLR-UHFFFAOYSA-N
INCHI1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
Isomeric SMILES CNC1=NC(=NC(=C1)C2=C(C(=CC=C2)Cl)Cl)N
PubChem CID 73441664
Molecular Weight 269.13

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.

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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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
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
DescriptionThis 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 Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NUDT1 Tchem 7,8-dihydro-8-oxoguanine triphosphatase (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MT4 (17854 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
Associated Targets(non-human)
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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.

7 results found

Lot NumberCertificate TypeDateItem
E2622136Certificate of AnalysisMay 28, 2026 T305079
A2219597Certificate of AnalysisNov 04, 2024 T305079
A2219706Certificate of AnalysisNov 04, 2024 T305079
A2219708Certificate of AnalysisNov 04, 2024 T305079
A2219744Certificate of AnalysisNov 04, 2024 T305079
A2219745Certificate of AnalysisNov 04, 2024 T305079
A2219746Certificate of AnalysisNov 04, 2024 T305079
Chemical and Physical Properties
Solubility5 mg/mL, clear (warmed)
Molecular Weight269.130 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.028 Da
Monoisotopic Mass268.028 Da
Topological Polar Surface Area63.800 Ų
Heavy Atom Count17
Formal Charge0
Complexity254.000
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
Solution Calculators
Reviews

Customer Reviews

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