Purmorphamine - Moligand™, ≥98% , Agonist of SMO, CAS No.483367-10-8, Agonist of SMO

CAS: 483367-10-8 Cat. No.: P126030 Peso molecular: 520.62 Número EC: 998-820-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

Shh Signaling Antagonist VI | 2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Purmorphamine, which directly binds and activates Smoothened, blocks BODIPY-cyclopamine binding to Smo with IC50 of ~ 1.5 μM and also is an inducer of osteoblast differentiation with EC50 of 1 μM.
An activator of the hedgehog (Hh) signaling pathway.

Specifications

Sinónimos

Shh Signaling Antagonist VI | 2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Purmorphamine, a purine derivative, has been shown to activate the Hedgehog (Hh) signaling pathway which is important for regulating embryonic patterning, stem cell renewal, and tissue regeneration. Additionally, this compound has been noted to display os

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of SMO

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763480
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763480
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

SMO Tclin Smoothened homolog (0 Activities)

Discover Target: SMO

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

SMO Tclin Smoothened homolog (1371 Activities)

Discover Target: SMO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

C3H 10T1/2 (488 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Shh Sonic hedgehog protein (356 Activities)

Discover Target: Shh

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (10 mM), DMF (~20 mg/ml), DMF:PBS(pH 7.2) (1:1) (~0.25 mg/ml), and chloroform.
• Peso molecular: 520.600 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 520.259 Da
• Monoisotopic Mass: 520.259 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 768.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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]