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

CAS: 372085-49-9 Cat. No.: W423670 분자식: C₂₄H₃₃N₅O₂S 분자량: 455.62 PubChem CID: 1898018

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

PDE4 inhibitor

Specifications

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

제품 특성

• ALogP: 4.087
• HBD 수: 1
• 회전 가능한 결합: 7

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN5CCOCC5
• PubChem CID: 1898018
• 분자량: 455.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10