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BMS-341400 (mesylate)

CAT: 0804-HY-107022ASize: 1 EachDry Ice: NoHazardous: No
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Description
BMS-341400 mesylate is a selective phosphodiesterase 5 (PDE5) inhibitor with an IC50 value of 0.3 nM. BMS-341400 mesylate reduces the degradation of cyclic guanosine monophosphate (cGMP), thereby enhancing nitric oxide (NO) -mediated relaxation of the smooth muscle of the corpus cavernosum and promoting erection. BMS-341400 mesylate can be used to study erectile dysfunction[1][2].
CAS Number
296250-54-9
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
CCN1C2=C(C3=C(C(N4C=C(C(NC)=O)N=C4)=NN=C3NCC5=CC(Cl)=C(OC)C=C5)C=N2)C=N1.CS(O)(=O)=O
Molecular Formula
C24H26ClN9O5S
Molecular Weight
588.04
References & Citations
[1]Yu G, et al. Substituted pyrazolopyridopyridazines as orally bioavailable potent and selective PDE5 inhibitors: potential agents for treatment of erectile dysfunction. J Med Chem. 2003 Feb 13;46 (4) :457-60. |[2]Pryor JL, Redmon B. New therapies and delivery mechanisms for treatment of erectile dysfunction. International journal of impotence research. 2000 Oct;12 (4) :S158-62.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE5

Chemical Information

BMS-341400 methanesulfonate
CAS Number296250-54-9
PubChem CID124203307
IUPAC Name1-[13-[(3-chloro-4-methoxyphenyl)methylamino]-5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaen-10-yl]-N-methylimidazole-4-carboxamide;methanesulfonic acid
Molecular FormulaC24H26ClN9O5S
Molecular Weight588.0
Topological Polar Surface Area187
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity828
SMILES
CCN1C2=NC=C3C(=C2C=N1)C(=NN=C3N4C=C(N=C4)C(=O)NC)NCC5=CC(=C(C=C5)OC)Cl.CS(=O)(=O)O
InChI
InChI=1S/C23H22ClN9O2.CH4O3S/c1-4-33-21-15(10-29-33)19-14(9-27-21)22(32-11-17(28-12-32)23(34)25-2)31-30-20(19)26-8-13-5-6-18(35-3)16(24)7-13;1-5(2,3)4/h5-7,9-12H,4,8H2,1-3H3,(H,25,34)(H,26,30);1H3,(H,2,3,4)
InChIKey
NTAGDQYHYAUFMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BMS-341400 methanesulfonate
CAS: 296250-54-9
CID: 124203307
Formula: C24H26ClN9O5S
MW: 588.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass587.1466138
Monoisotopic Mass587.1466138
Topological Polar Surface Area187 Ų
Heavy Atom Count40
Formal Charge0
Complexity828
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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