N-[5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-morpholin-4-ylphenyl]methanesulfonamide - Moligand™ , Inhibitor of bromodomain containing 9;Inhibitor of CECR2 histone acetyl-lysine reader;Inhibitor of CREB binding protein, CAS No.N609292, Inhibitor of bromodomain containing 9;Inhibitor of CECR2 histone acetyl-lysine reader;Inhibitor of CREB binding protein

CAS: N609292 Cat. No.: N609292 PubChem CID: 76317442

GRADE & PURITY Moligand™

Synonyms

compound 50

Storage

Room temperature

Specifications

Synonyms

compound 50

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of bromodomain containing 9;Inhibitor of CECR2 histone acetyl-lysine reader;Inhibitor of CREB binding protein

Names and Identifiers

• Canonical Smiles: Cc1nnc2n1nc(c1ccc(c(c1)NS(=O)(=O)C)N1CCOCC1)c1c2cccc1
• InChIKey: MYFFGZYMLKZBPZ-UHFFFAOYSA-N
• INCHI: 1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3
• Isomeric SMILES: CC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)NS(=O)(=O)C
• PubChem CID: 76317442

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 1,2,4-triazolo[3,4-a]phthalazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Phthalazines
• Direct Parent: 1,2,4-triazolo[3,4-a]phthalazines
• Alternative Parents: Phenylpyridazines Phenylmorpholines Sulfanilides Dialkylarylamines Aniline and substituted anilines Organosulfonamides Organic sulfonamides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-triazolo[3,4-a]phthalazine - Phenylmorpholine - Phenylpyridazine - Sulfanilide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridazine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Aminosulfonyl compound - 1,2,4-triazole - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Dialkyl ether - Azacycle - Ether - Oxacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2,4-triazolo[3,4-a]phthalazines. These are aromatic heteropolycyclic compounds containing a 1,2,4-triazole fused to and sharing a nitrogen atom with the diazine ring of a phthalazine moiety.
• 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)

CREBBP Tchem CREB-binding protein (2 Activities)

Discover Target: CREBBP

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

BRD4 Tchem Bromodomain-containing protein 4 (1 Activities)

Discover Target: BRD4

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

CECR2 Tchem Cat eye syndrome critical region protein 2 (2 Activities)

Discover Target: CECR2

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

BRD9 Tchem Bromodomain-containing protein 9 (2 Activities)

Discover Target: BRD9

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

KAT2B Tchem Histone acetyltransferase PCAF (884 Activities)

Discover Target: KAT2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CREBBP Tchem CREB-binding protein (1602 Activities)

Discover Target: CREBBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PBRM1 Tchem Protein polybromo-1 (712 Activities)

Discover Target: PBRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD2 Tchem ATPase family AAA domain-containing protein 2 (598 Activities)

Discover Target: ATAD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PHIP Tbio PH-interacting protein (91 Activities)

Discover Target: PHIP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMARCA4 Tchem Transcription activator BRG1 (263 Activities)

Discover Target: SMARCA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CECR2 Tchem Cat eye syndrome critical region protein 2 (340 Activities)

Discover Target: CECR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD9 Tchem Bromodomain-containing protein 9 (684 Activities)

Discover Target: BRD9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TAF1L Tchem Transcription initiation factor TFIID subunit 1-like (141 Activities)

Discover Target: TAF1L

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BAZ2A Tchem Bromodomain adjacent to zinc finger domain protein 2A (266 Activities)

Discover Target: BAZ2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SP140 Tbio Nuclear body protein SP140 (54 Activities)

Discover Target: SP140

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action