example 2 [WO2013026797A1] - Moligand™ , Inhibitor of phosphodiesterase 4B, CAS No.E610245, Inhibitor of phosphodiesterase 4B

CAS: E610245 Cat. No.: E610245 PubChem CID: 71278111

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of phosphodiesterase 4B

이름과 식별자

• 정식 스마일: OCC1(CCC1)Nc1nc(nc2c1S(=O)CC2)N1CCC(CC1)c1ncc(Cl)cn1
• InChIKey: UHYCLWAANUGUMN-UHFFFAOYSA-N
• INCHI: 1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)
• 이성체 SMILES: C1CC(C1)(CO)NC2=NC(=NC3=C2S(=O)CC3)N4CCC(CC4)C5=NC=C(C=N5)Cl
• PubChem CID: 71278111

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Dialkylarylamines Halopyrimidines Aminopyrimidines and derivatives Piperidines Imidolactams Aryl chlorides Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Imidolactam - Aryl halide - Pyrimidine - Piperidine - Heteroaromatic compound - Sulfoxide - Azacycle - Sulfinyl compound - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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

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

관련 대상(인간)

PDE4B Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4B (0 Activities)

Discover Target: PDE4B

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

자주 묻는 질문

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

The CAS Number is E610245. InChIKey UHYCLWAANUGUMN-UHFFFAOYSA-N.

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 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.