4-(5-amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)-N-p-tolylpiperazine-1-carboxamide , CAS No.1245319-54-3

CAS: 1245319-54-3 Cat. No.: P126505 Molecular Weight: 446.53
AVAILABLE TO ORDER
Synonyms
VZB31954 | SCHEMBL655275 | 4-(5-Amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)-N-(p-tolyl)piperazine-1-carboxamide | DTXSID70677344 | 1-Piperazinecarboxamide, 4-[5-amino-2-(3-pyridinyl)thiazolo[5,4-d]pyrimidin-7-yl]-N-(4-methylphenyl)- | 4-(5-amino-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P126505-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$547.90
10mg
P126505-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$875.90
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Why this grade

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

Synonyms
VZB31954 | SCHEMBL655275 | 4-(5-Amino-2-(pyridin-3-yl)thiazolo[5, 4-d]pyrimidin-7-yl)-N-(p-tolyl)piperazine-1-carboxamide | DTXSID70677344 | 1-Piperazinecarboxamide, 4-[5-amino-2-(3-pyridinyl)thiazolo[5, 4-d]pyrimidin-7-yl]-N-(4-methylphenyl)- | 4-(5-amino-
Biochemical and Physiological Mechanisms

Description:
IC50 Value: 5.7 nM[1]
  PI4KIII beta inhibitor 3, 4-(5-amino-2-(pyridin-3-yl)thiazolo[5, 4-d]pyrimidin-7-yl)-N-p-tolylpiperazine-1-carboxamide, is a novel and high effective PI4KIII beta inhibitor.
in vitro

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.
Action Type
INHIBITOR
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C(=NC(=N3)N)SC(=N4)C5=CN=CC=C5
IUPAC Name4-(5-amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
InChIKeyUWTRKIJAGTTXNM-UHFFFAOYSA-N
INCHI1S/C22H22N8OS/c1-14-4-6-16(7-5-14)25-22(31)30-11-9-29(10-12-30)18-17-20(28-21(23)27-18)32-19(26-17)15-3-2-8-24-13-15/h2-8,13H,9-12H2,1H3,(H,25,31)(H2,23,27,28)
Isomeric SMILES CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C4C(=NC(=N3)N)SC(=N4)C5=CN=CC=C5
Molecular Weight 446.53
Reaxy-Rn 22231165
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22231165&ln=

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
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-arylpiperazines
Alternative Parents N-phenylureas  1,3-thiazolo[5,4-d]pyrimidines  Piperazine carboxamides  Dialkylarylamines  Toluenes  Aminopyrimidines and derivatives  Imidolactams  Pyridines and derivatives  Thiazoles  Heteroaromatic compounds  Ureas  Azacyclic compounds  Primary amines  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-arylpiperazine - N-phenylurea - 1,3-thiazolo[5,4-d]pyrimidine - Piperazine-1-carboxamide - Dialkylarylamine - Toluene - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Urea - Tertiary amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PI4KB Tchem Phosphatidylinositol 4-kinase beta (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PI4K2B Tbio PI4-kinase type II beta (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PI4K2A Tbio PI4-kinase type II (62 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PI4KA Tchem PI4-kinase alpha subunit (184 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PI4KB Tchem PI4-kinase beta subunit (1593 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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:
Chemical and Physical Properties
Solubility25°C: DMSO
Molecular Weight446.500 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass446.164 Da
Monoisotopic Mass446.164 Da
Topological Polar Surface Area141.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity639.000
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
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