basroparib - Moligand™ , Inhibitor of tankyrase;Inhibitor of tankyrase 2, CAS No.1858179-75-5, Inhibitor of tankyrase;Inhibitor of tankyrase 2

CAS: 1858179-75-5 Cat. No.: B607931 PubChem CID: 137017382

GRADE & PURITY Moligand™

Synonyms

5-(4-(2,6-Difluoro-4-(2- methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6- dihydro-7H-(1,2,3)triazolo(4,5-d)pyrimidin-7-one | GTPL12611 | 5-(4-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6-dihydro-7H-[1,2,3]triazolo [4,5-d]pyrimidi

Storage

Room temperature

Specifications

Synonyms

5-(4-(2,6-Difluoro-4-(2- methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6- dihydro-7H-(1,2,3)triazolo(4,5-d)pyrimidin-7-one | GTPL12611 | 5-(4-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6-dihydro-7H-[1,2,3]triazolo [4,5-d]pyrimidi

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of tankyrase;Inhibitor of tankyrase 2

Names and Identifiers

• Canonical Smiles: FC1=C(C(=CC(=C1)OCCOC)F)N2CCN(CC2)C=3NC(C4=C(N3)N(N=N4)C)=O
• IUPAC Name: 5-(4-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6-dihydro-7H-[1,2,3]triazolo [4,5-d]pyrimidin-7-one
• InChIKey: ALDDPEMJJONRDI-UHFFFAOYSA-N
• INCHI: 1S/C18H21F2N7O3/c1-25-16-14(23-24-25)17(28)22-18(21-16)27-5-3-26(4-6-27)15-12(19)9-11(10-13(15)20)30-8-7-29-2/h9-10H,3-8H2,1-2H3,(H,21,22,28)
• Isomeric SMILES: CN1C2=C(C(=O)NC(=N2)N3CCN(CC3)C4=C(C=C(C=C4F)OCCOC)F)N=N1
• PubChem CID: 137017382

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Triazolopyrimidines Methoxyanilines Aminophenyl ethers Phenoxy compounds Dialkylarylamines Hydroxypyrimidines Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Triazoles Heteroaromatic compounds Trialkylamines Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Enamines Dialkyl ethers Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Aminophenyl ether - Methoxyaniline - Triazolopyrimidine - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Hydroxypyrimidine - Halobenzene - Fluorobenzene - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Ether - Enamine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TNKS Tchem Tankyrase-1 (0 Activities)

Discover Target: TNKS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNKS2 Tchem Tankyrase-2 (0 Activities)

Discover Target: TNKS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1858179-75-5. InChIKey ALDDPEMJJONRDI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.