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CBS-3595

CAT: 0013-GTR19197944-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197944-01Size:25 mg
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Description
CBS-3595 is a dual p38α MAPK/PDE-4 inhibitor with moderate nanomolar potency, favorable pharmacokinetics, and low plasma protein binding. Its anti-inflammatory efficacy, demonstrated by suppressing TNFα release in vivo, occurs at doses and systemic exposures significantly below toxicological thresholds, supporting its research utility in inflammatory disease models.
CAS Number
908380-97-2
Field of Research
Metabolism Research, Signal Transduction
Smiles
CN1C (=C (N=C1S (C) =O) C2=CC=C (F) C=C2) C=3C=C (NC (C) =O) N=CC3
Molecular Formula
C18H17FN4O2S
Molecular Weight
372.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cbs-3595

inhibits both p38 MAP kinase and phosphodiesterase 4; structure in first source

CAS Number908380-97-2
PubChem CID11639342
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide
Molecular FormulaC18H17FN4O2S
Molecular Weight372.4
XLogP1.3
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity529
SMILES
CC(=O)NC1=NC=CC(=C1)C2=C(N=C(N2C)S(=O)C)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FN4O2S/c1-11(24)21-15-10-13(8-9-20-15)17-16(12-4-6-14(19)7-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)
InChIKey
DRMJRHUMYBYDIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cbs-3595
CAS: 908380-97-2
CID: 11639342
Formula: C18H17FN4O2S
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass372.10562513
Monoisotopic Mass372.10562513
Topological Polar Surface Area96.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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