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15421-84-8 molecular structure
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N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

ChemBase ID: 155063
Molecular Formular: C10H15N5
Molecular Mass: 205.2596
Monoisotopic Mass: 205.13274551
SMILES and InChIs

SMILES:
CCN(CC)c1cc(nc2n1ncn2)C
Canonical SMILES:
CCN(c1cc(C)nc2n1ncn2)CC
InChI:
InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
InChIKey:
GSNOZLZNQMLSKJ-UHFFFAOYSA-N

Cite this record

CBID:155063 http://www.chembase.cn/molecule-155063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
IUPAC Traditional name
trapidil
Synonyms
AR 12008
Avantrin
N,N-diethyl-5-methyl-[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
Rocornal
Trapymin
Trapymine
Trapidil
CAS Number
15421-84-8
EC Number
239-434-2
MDL Number
MFCD00193104
PubChem SID
162249201
PubChem CID
5531

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
SML0071 external link Add to cart Please log in.
Data Source Data ID
PubChem 5531 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2548602  LogD (pH = 7.4) 1.2548734 
Log P 1.2548735  Molar Refractivity 71.3755 cm3
Polarizability 21.788668 Å3 Polar Surface Area 46.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: ≥15 mg/mL expand Show data source
Apperance
white to tan powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C10H15N5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - SML0071 external link
Biochem/physiol Actions
Trapidil is an antiplatelet agent that acts in part as a phosphodiesterase inhibitor and as a competitive inhibitor of the platelet-derived growth factor (PDGF) receptor. Trapidil, with its vasodilator and NO releasing effect may have some potential to diminish the tissue injury. Trapidil suppresses platelet-derived growth factor (PDGF)-induced vascular smooth muscle cell (VSMC) proliferation by inhibiting Raf-1/extracellular signal-regulated kinase (ERK) via cAMP/protein kinase A (PKA). In addn. to cAMP/PKA activation, trapidil inhibits RhoA/ROCK activation.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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