BI-1015550 - Moligand™, ≥98% , Inhibitor of phosphodiesterase 4A;Inhibitor of phosphodiesterase 4B;Inhibitor of phosphodiesterase 4D, CAS No.1423719-30-5, Inhibitor of phosphodiesterase 4A;Inhibitor of phosphodiesterase 4B;Inhibitor of phosphodiesterase 4D

CAS: 1423719-30-5 Cat. No.: B608042 Molecular Weight: 448.97 EC Number: 823-454-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

BI1015550 | BI-1015550 | [1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol | I5DGT51IB8 | GTPL12518 | 1423719-30-5 | HY-153192 | EX-A7747 | BI 1015550 | CYCLOBUTANEMETHANOL, 1-(((

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BI 1015550 has good safety and potential applications in inflammation, allergic diseases, pulmonary fibrosis, and chronic obstructive pulmonary disease (COPD).

Specifications

Synonyms

BI1015550 | BI-1015550 | [1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6, 7-dihydrothieno[3, 2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol | I5DGT51IB8 | GTPL12518 | 1423719-30-5 | HY-153192 | EX-A7747 | BI 1015550 | CYCLOBUTANEMETHANOL, 1-(((

Specifications & Purity

Moligand™, ≥98%

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of phosphodiesterase 4A;Inhibitor of phosphodiesterase 4B;Inhibitor of phosphodiesterase 4D

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528763425
• Canonical Smiles: OCC1(CCC1)NC2=NC(=NC3=C2[S@](=O)CC3)N4CCC(CC4)C5=NC=C(Cl)C=N5
• IUPAC Name: [1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
• InChIKey: UHYCLWAANUGUMN-SSEXGKCCSA-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)/t30-/m1/s1
• Isomeric SMILES: C1CC(C1)(CO)NC2=NC(=NC3=C2[S@](=O)CC3)N4CCC(CC4)C5=NC=C(C=N5)Cl
• Molecular Weight: 448.97

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Secondary alkylarylamines Halopyrimidines Aminopyrimidines and derivatives Piperidines Imidolactams Heteroaromatic compounds Dihydrothiophenes Sulfoxides Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dialkylarylamine - Secondary aliphatic/aromatic amine - Halopyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Piperidine - Heteroaromatic compound - 2,3-dihydrothiophene - Sulfoxide - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl chloride - Secondary amine - Amidine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (0 Activities)

Discover Target: PDE4D

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

PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (0 Activities)

Discover Target: PDE4A

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

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)