Purmorphamine , CAS No.483367-10-8

CAS: 483367-10-8 Cat. No.: P1371723-GMP Molecular Weight: 520.62 EC Number: 998-820-5

Storage

Room temperature

Shipped In

Normal

Overview

Purmorphamine (GMP) is Purmorphamine produced by using GMP guidelines. GMP small molecules work appropriately as an auxiliary reagent for cell therapy manufacture. Purmorphamine is a smoothened/Smo receptor agonist with an EC50 of 1 μM.

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7
• IUPAC Name: 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
• InChIKey: FYBHCRQFSFYWPY-UHFFFAOYSA-N
• INCHI: 1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)
• Isomeric SMILES: C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7
• WGK Germany: 3
• Molecular Weight: 520.62
• Reaxy-Rn: 10500685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10500685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Diarylethers Naphthalenes 6-aminopurines Dialkylarylamines Aniline and substituted anilines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylmorpholine - Diaryl ether - 6-aminopurine - Naphthalene - Imidazopyrimidine - Purine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Imidolactam - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Oxacycle - Secondary amine - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• External Descriptors: purines - morpholines

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

References

1. Li Li, Qiuhong Li, Lei Wei, Zhongfu Wang, Wei Ma, Fangying Liu, Yanhua Shen, Shanfang Zhang, Xiulian Zhang, Huiping Li, Yechang Qian.  (2019)  Dexamethasone combined with berberine is an effective therapy for bleomycin‑induced pulmonary fibrosis in rats.  Experimental and Therapeutic Medicine,  18  (4): (2385-2392).  [PMID:31555349] [10.3892/etm.2019.7861]