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(R) -DNMDP

CAT: 0931-T13856-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13856-01Size:1 mg
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CAS Number
1630760-60-9
Target
PDE
Related Pathways
Metabolism
Bioactivity
(R) -DNMDP is a potent and selective cancer cytotoxic agent that directly binds PDE3A and has an EC50 500-fold lower than that of (S) -DNMDP against HeLa.
Smiles
C[C@H]1C(C2=CC([N+]([O-])=O)=C(C=C2)N(CC)CC)=NNC(C1)=O
Molecular Formula
C15H20N4O3
Molecular Weight
304.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-Dnmdp
CAS Number1630760-60-9
PubChem CID7122097
IUPAC Name(4R)-3-[4-(diethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC15H20N4O3
Molecular Weight304.34
XLogP2.2
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity456
SMILES
CCN(CC)C1=C(C=C(C=C1)C2=NNC(=O)C[C@H]2C)[N+](=O)[O-]
InChI
InChI=1S/C15H20N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)/t10-/m1/s1
InChIKey
YOSSKNZHADPXJX-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of (R)-Dnmdp
CAS: 1630760-60-9
CID: 7122097
Formula: C15H20N4O3
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass304.15354051
Monoisotopic Mass304.15354051
Topological Polar Surface Area90.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA8151-25DNMDP
FQC76060-01(R) -DNMDP

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