draflazine - Moligand™ , Inhibitor of Equilibrative nucleoside transporter 1, CAS No.120770-34-5, Inhibitor of Equilibrative nucleoside transporter 1

CAS: 120770-34-5 Cat. No.: D609970 Numero EC: 802-344-4 PubChem CID: 60849

GRADE & PURITY Moligand™

Synonyms

AKOS040741670 | SCHEMBL215826 | UNII-0Y25DT968Y | 2-(AMINOCARBONYL)-N-(4-AMINO-2,6-DICHLOROPHENYL)-4-(5,5-BIS(4-FLUOROPHENYL)PENTYL)-1-PIPERAZINEACETAMIDE | HY-106841 | R 75231 | R75231 | R-75231 | Draflazinum [INN-Latin] | 1-Piperazineacetamide, 2-(amino

Storage

Room temperature

Specifications

Sinonimi

AKOS040741670 | SCHEMBL215826 | UNII-0Y25DT968Y | 2-(AMINOCARBONYL)-N-(4-AMINO-2,6-DICHLOROPHENYL)-4-(5,5-BIS(4-FLUOROPHENYL)PENTYL)-1-PIPERAZINEACETAMIDE | HY-106841 | R 75231 | R75231 | R-75231 | Draflazinum [INN-Latin] | 1-Piperazineacetamide, 2-(amino

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of Equilibrative nucleoside transporter 1

Nomi e identificatori

• Sorrisi canonici: O=C(Nc1c(Cl)cc(cc1Cl)N)CN1CCN(CC1C(=O)N)CCCCC(c1ccc(cc1)F)c1ccc(cc1)F
• IUPAC Name: 1-{[(4-amino-2,6-dichlorophenyl)carbamoyl]methyl}-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
• InChIKey: IWMYIWLIESDFRZ-UHFFFAOYSA-N
• INCHI: 1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)
• Isomeri SMILES: C1CN(C(CN1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)CC(=O)NC4=C(C=C(C=C4Cl)N)Cl
• PubChem CID: 60849

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Alpha amino acid amides N-piperazineacetamides Anilides Piperazine carboxamides Aniline and substituted anilines Dichlorobenzenes N-arylamides Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl chlorides Aryl fluorides Secondary carboxylic acid amides Trialkylamines Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organofluorides Organopnictogen compounds Carbonyl compounds Primary amines Organochlorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - Piperazine-2-carboxamide - Anilide - 1,3-dichlorobenzene - N-arylamide - Aniline or substituted anilines - N-alkylpiperazine - Chlorobenzene - Aralkylamine - Fluorobenzene - Halobenzene - Aryl halide - Piperazine - 1,4-diazinane - Aryl fluoride - Aryl chloride - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Obiettivi associati (umani)

SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1 Activities)

Discover Target: SLC29A1

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

SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

Discover Target: SLC29A1

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

Obiettivi associati (non umani)

SARS-CoV-2 (38078 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 604.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 603.198 Da
• Monoisotopic Mass: 603.198 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 810.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

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 120770-34-5. InChIKey IWMYIWLIESDFRZ-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.