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CHF6001

CAT: 1410-M10961-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M10961-05Size:50 mg
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Description
A novel, highly potent and selective phosphodiesterase 4 (PDE4) inhibitor with IC50 of 0.026 nM.
CAS Number
1239278-59-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
687.533
Molecular Formula
C30H30Cl2F2N2O8S
Notes
Research use only, not for human use.
Receptor
PDE

Chemical Information

Tranimilast

CHF6001 has been used in trials studying the treatment of Asthma and Chronic Obstructive Pulmonary Disease.

CAS Number1239278-59-1
PubChem CID70662473
IUPAC Name[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate
Molecular FormulaC30H30Cl2F2N2O8S
Molecular Weight687.5
XLogP5.8
Topological Polar Surface Area134
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count45
Formal Charge0
Complexity1070
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O[C@@H](CC2=C(C=[N+](C=C2Cl)[O-])Cl)C3=CC(=C(C=C3)OC(F)F)OCC4CC4)OCC5CC5
InChI
InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1
InChIKey
VCFBPAOSTLMYIV-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of Tranimilast
CAS: 1239278-59-1
CID: 70662473
Formula: C30H30Cl2F2N2O8S
MW: 687.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass686.1067988
Monoisotopic Mass686.1067988
Topological Polar Surface Area134 Ų
Heavy Atom Count45
Formal Charge0
Complexity1070
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

Alternative Products

CatalogName
MBS3600961-01CHF6001

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