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PF-00489791

CAT: 0607-C8412-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-C8412-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
853003-48-2
Form
A solid
Molecular Formula
C20H28N8O4S
Molecular Weight
476.55
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pf-00489791

PF-00489791 has been used in trials studying the treatment of Hypertension, Raynaud's Disease, Diabetic Nephropathies, Hypertension, Pulmonary, and Peripheral Vascular Disease.

CAS Number853003-48-2
PubChem CID11465695
IUPAC Name1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methyl-2-pyridinyl)amino]-N-methylsulfonylpyrazolo[4,5-d]pyrimidine-3-carboxamide
Molecular FormulaC20H28N8O4S
Molecular Weight476.6
XLogP1.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity751
SMILES
CCN(C)C1=NC2=C(C(=N1)NC3=NC=CC(=C3)C)N(N=C2C(=O)NS(=O)(=O)C)CCOCC
InChI
InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)
InChIKey
ZUHZNKJIJDAJFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pf-00489791
CAS: 853003-48-2
CID: 11465695
Formula: C20H28N8O4S
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass476.19542258
Monoisotopic Mass476.19542258
Topological Polar Surface Area153 Ų
Heavy Atom Count33
Formal Charge0
Complexity751
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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