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PF-956980

CAT: 0013-GTR19208295-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208295-03Size:100 mg
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Description
PF-00956980 is a reversible pan-JAK inhibitor with IC50 values of 2.2 μM (JAK1), 23.1 μM (JAK2), and 59.9 μM (JAK3) . It is a research tool used in preclinical studies to investigate inflammatory pathways, particularly in models of lung and skin diseases.
CAS Number
1262832-74-5
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
N (C) (C1=C2C (NC=C2) =NC=N1) [C@H]3CN (C (=O) N4CCCC4) CC[C@H]3C
Molecular Formula
C18H26N6O
Molecular Weight
342.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-956980

PF-956980 is a pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a pyrrolopyrimidine, a N-acylpyrrolidine, a N-acylpiperidine and a tertiary amino compound.

CAS Number1262832-74-5
PubChem CID53344620
IUPAC Name[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
Molecular FormulaC18H26N6O
Molecular Weight342.4
XLogP2.1
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity482
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)N4CCCC4
InChI
InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1
InChIKey
RONMOMUOZGIDET-HIFRSBDPSA-N
Chemical Structure
2D Structure
2D structure of PF-956980
CAS: 1262832-74-5
CID: 53344620
Formula: C18H26N6O
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass342.21680947
Monoisotopic Mass342.21680947
Topological Polar Surface Area68.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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