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DMH4

CAT: 0127-BUP03915-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03915-01Size:1 mg
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CAS Number
515880-75-8
Purity
=98%
Smiles
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1

Chemical Information

4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine

DMH4 is a pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by phenyl and 4-[2-(morpholin-4-yl)ethoxy]phenyl groups at positions 3 and 6, respectively. It is an inhibitor of VEGFR-2 (IC50 = 0.16 M). It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a vascular endothelial growth factor receptor antagonist and an apoptosis inducer. It is a member of benzenes, an aromatic ether, a pyrazolopyrimidine, a member of morpholines and a tertiary amino compound.

CAS Number515880-75-8
PubChem CID5329447
IUPAC Name4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
Molecular FormulaC24H24N4O2
Molecular Weight400.5
XLogP3.2
Topological Polar Surface Area51.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity515
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=CC=C5)N=C3
InChI
InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
InChIKey
SKZQZGSPYYHTQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CAS: 515880-75-8
CID: 5329447
Formula: C24H24N4O2
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass400.18992602
Monoisotopic Mass400.18992602
Topological Polar Surface Area51.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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