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1206711-16-1 molecular structure
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4-{6-[4-(propan-2-yloxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline

ChemBase ID: 154870
Molecular Formular: C24H20N4O
Molecular Mass: 380.4418
Monoisotopic Mass: 380.16371128
SMILES and InChIs

SMILES:
CC(C)Oc1ccc(cc1)c1cnc2c(cnn2c1)c1ccnc2c1cccc2
Canonical SMILES:
CC(Oc1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2)C
InChI:
InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
InChIKey:
JMIFGARJSWXZSH-UHFFFAOYSA-N

Cite this record

CBID:154870 http://www.chembase.cn/molecule-154870.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{6-[4-(propan-2-yloxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline
IUPAC Traditional name
4-[6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Synonyms
4-[6-(4-Isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-quinoline
DMH1
DMH1
CAS Number
1206711-16-1
MDL Number
MFCD18384963
PubChem SID
162249008
PubChem CID
50997747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50997747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.717104  LogD (pH = 7.4) 4.720743 
Log P 4.72079  Molar Refractivity 123.5979 cm3
Polarizability 47.299862 Å3 Polar Surface Area 52.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: soluble5 mg/mL, clear (warmed) expand Show data source
Apperance
light yellow to orange powder expand Show data source
Storage Condition
desiccated expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
25 expand Show data source
Safety Statements
45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P301 + P310 expand Show data source
Storage Temperature
2-8°C expand Show data source
Target
Smad expand Show data source
TGF-beta expand Show data source
Purity
≥98% (HPLC) expand Show data source
Salt Data
Free Base expand Show data source
Empirical Formula (Hill Notation)
C24H20N4O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D8946 external link
Biochem/physiol Actions
DMH1 is a highly selective Bone morphogenetic protein (BMP) inhibitor. DMH1 is a dorsomorphin analogue that exclusively targets the BMP but not the VEGF pathway.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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