WAY-324075 - 10mM in DMSO , CAS No.372085-49-9

CAS: 372085-49-9 Cat. No.: W423670 分子式: C₂₄H₃₃N₅O₂S 分子量: 455.62 PubChem CID: 1898018

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

PDE4 inhibitor

Specifications

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

• ALogP: 4.087
• HBD数: 1
• 回転可能な結合: 7

名前と識別子

• カノニカル・スマイル: CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN5CCOCC5
• IUPAC Name: 8-butyl-4,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
• InChIKey: CVGYBYVAZWGVQN-UHFFFAOYSA-N
• INCHI: 1S/C24H33N5O2S/c1-4-5-6-18-17-14-31-24(2,3)13-16(17)19-20-21(32-23(19)28-18)22(27-15-26-20)25-7-8-29-9-11-30-12-10-29/h15H,4-14H2,1-3H3,(H,25,26,27)
• 異性体SMILES: CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN5CCOCC5
• PubChem CID: 1898018
• 分子量: 455.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Thienopyrimidines Thienopyridines Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Morpholines Imidolactams Thiophenes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Thienopyrimidine - Thienopyridine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Morpholine - Oxazinane - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
• 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

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10