Purmorphamine - Moligand™, 2mM in DMSO , Agonist of SMO, CAS No.483367-10-8, Agonist of SMO

CAS: 483367-10-8 Cat. No.: P424198 分子式: C₃₁H₃₂N₆O₂ 分子量: 520.62 EC番号: 998-820-5

GRADE & PURITY Moligand™, 2mM in DMSO

Synonyms

9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine | HSCI1_000224 | SMR004701397 | AKOS024458218 | SB19498 | Q15409344 | FT-0674154 | 9H-Purin-6-amine, 9-cyclohexyl-N-(4-(4-morpholinyl)phenyl)-2-(1-naphthalenyloxy)- | Shh Si

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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

同義語

9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine | HSCI1_000224 | SMR004701397 | AKOS024458218 | SB19498 | Q15409344 | FT-0674154 | 9H-Purin-6-amine, 9-cyclohexyl-N-(4-(4-morpholinyl)phenyl)-2-(1-naphthalenyloxy)- | Shh Si

仕様と純度

Moligand™, 2mM in DMSO

生化学的・生理学的メカニズム

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

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。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of SMO

名前と識別子

パブケム・シド

528766816

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528766816

カノニカル・スマイル

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)

異性体SMILES

C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7

WGKドイツ

3

分子量

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
    • 分類 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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