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Pumecitinib

CAT: 0013-GTR19184263-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184263-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pumecitinib
CAS Number
2401057-12-1
Product Name Alternative
JAK, 3Azetidineacetonitrile,3[3amino4 (7Hpyrrolo[2,3d]pyrimidin4yl) 1Hpyrazol1yl]1[ (1methylethyl) sulfonyl], Pumecitinib
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.89% (May vary between batches)
Solubility
DMSO:4.8 mg/mL (11.99 mM)
Smiles
CC (C) S (=O) (=O) N1CC (CC#N) (C1) n1cc (c (N) n1) -c1ncnc2[nH]ccc12
Molecular Formula
C17H20N8O2S
Molecular Weight
400.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pumecitinib
CAS Number2401057-12-1
PubChem CID141761076
IUPAC Name2-[3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-1-propan-2-ylsulfonylazetidin-3-yl]acetonitrile
Molecular FormulaC17H20N8O2S
Molecular Weight400.5
XLogP-0.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity738
SMILES
CC(C)S(=O)(=O)N1CC(C1)(CC#N)N2C=C(C(=N2)N)C3=C4C=CNC4=NC=N3
InChI
InChI=1S/C17H20N8O2S/c1-11(2)28(26,27)24-8-17(9-24,4-5-18)25-7-13(15(19)23-25)14-12-3-6-20-16(12)22-10-21-14/h3,6-7,10-11H,4,8-9H2,1-2H3,(H2,19,23)(H,20,21,22)
InChIKey
OUXYFMCMGWQWQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pumecitinib
CAS: 2401057-12-1
CID: 141761076
Formula: C17H20N8O2S
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass400.14299308
Monoisotopic Mass400.14299308
Topological Polar Surface Area155 Ų
Heavy Atom Count28
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5810344Pumecitinib

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