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866405-64-3 molecular structure
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4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine

ChemBase ID: 6205
Molecular Formular: C24H25N5O
Molecular Mass: 399.4882
Monoisotopic Mass: 399.20591045
SMILES and InChIs

SMILES:
C1CCCCN1CCOc1ccc(cc1)c1cn2c(nc1)c(cn2)c1ccncc1
Canonical SMILES:
C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1
InChI:
InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
InChIKey:
XHBVYDAKJHETMP-UHFFFAOYSA-N

Cite this record

CBID:6205 http://www.chembase.cn/molecule-6205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
IUPAC Traditional name
4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
Synonyms
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
AMPK Inhibitor
Compound C
Dorsomorphin
6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CAS Number
866405-64-3
MDL Number
MFCD08705402
PubChem SID
24898658
160969630
99445068
PubChem CID
11524144

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
P5499 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 0.3366812  LogD (pH = 7.4) 2.0200543 
Log P 3.4410903  Molar Refractivity 128.5134 cm3
Polarizability 47.837887 Å3 Polar Surface Area 55.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 3.84  LOG S -4.43 
Solubility (Water) 1.48e-02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >2 mg/mL (warmed) expand Show data source
Apperance
white to beige powder expand Show data source
Storage Condition
protect from light expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C24H25N5O expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Sigma Aldrich Sigma Aldrich
DrugBank - DB08597 external link
Drug information: experimental
Sigma Aldrich - P5499 external link
Biochem/physiol Actions
Dorsomorphin is a selective inhibitor of Bone morphogenetic protein (BMP) signaling. It has been found to inhibit BMP signals required for embryogenesis and promoted significant neural differentiation from human pluripotent stem cell (hPSC) lines. Dorsomorphin also acts as a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase); Ki = 109 nM in the presence of 5 μM ATP and the absence of AMP).

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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