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PF-07038124 HCl

CAT: 0931-T60921L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T60921L-01Size:1 mg
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CAS Number
2415317-57-4
Target
IL Receptor, PDE
Related Pathways
Immunology/Inflammation, Metabolism
Purity
0.9966
Bioactivity
PF-07038124 HCl is a selective and potent PDE4 inhibitor with an IC50 of 0.5 nM for PDE4B2.PF-07038124 HCl inhibits IL-13, IL-4, and IFNγ, and can be used in the study of skin disorders such as atopic dermatitis and plaque psoriasis.
Smiles
O(CCC)C=1C=C(C=CC1OC)C=2C=C(C=NC2)[C@H]3CB(O)OC3.Cl
Molecular Formula
C18H23BClNO4
Molecular Weight
363.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PF-07038124 HCl
CAS Number2415317-57-4
PubChem CID156900459
IUPAC Name3-[(4R)-2-hydroxyoxaborolan-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine;hydrochloride
Molecular FormulaC18H23BClNO4
Molecular Weight363.6
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity386
SMILES
B1(C[C@@H](CO1)C2=CN=CC(=C2)C3=CC(=C(C=C3)OC)OCCC)O.Cl
InChI
InChI=1S/C18H22BNO4.ClH/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16;/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3;1H/t16-;/m0./s1
InChIKey
QHNSQBUGQNRYBR-NTISSMGPSA-N
Chemical Structure
2D Structure
2D structure of PF-07038124 HCl
CAS: 2415317-57-4
CID: 156900459
Formula: C18H23BClNO4
MW: 363.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass363.1408661
Monoisotopic Mass363.1408661
Topological Polar Surface Area60.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes