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Milpecitinib

CAT: 0013-GTR19249453-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249453-02Size:10 mg
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Description
Milpecitinib (Compound 21a) is a selective JAK inhibitor with anti-inflammatory activity, useful for research in oncology and immunology. Studies demonstrate its application in both in vitro cellular assays and in vivo models of inflammatory disease.
CAS Number
1415819-54-3
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NC1=CC=CC (=C1) C2=NC (=CS2) C3=CNC (=C3) C (=O) N4CCCC4) C
Molecular Formula
C20H20N4O2S
Molecular Weight
380.463
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-(4-(5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl)thiazol-2-yl)phenyl)acetamide

Milpecitinib is a small molecule drug. Milpecitinib has a monoisotopic molecular weight of 380.13 Da.

CAS Number1415819-54-3
PubChem CID71086762
IUPAC NameN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide
Molecular FormulaC20H20N4O2S
Molecular Weight380.5
XLogP2.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity554
SMILES
CC(=O)NC1=CC=CC(=C1)C2=NC(=CS2)C3=CNC(=C3)C(=O)N4CCCC4
InChI
InChI=1S/C20H20N4O2S/c1-13(25)22-16-6-4-5-14(9-16)19-23-18(12-27-19)15-10-17(21-11-15)20(26)24-7-2-3-8-24/h4-6,9-12,21H,2-3,7-8H2,1H3,(H,22,25)
InChIKey
ABZCXQGJBVWZBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(4-(5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl)thiazol-2-yl)phenyl)acetamide
CAS: 1415819-54-3
CID: 71086762
Formula: C20H20N4O2S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass380.13069707
Monoisotopic Mass380.13069707
Topological Polar Surface Area106 Ų
Heavy Atom Count27
Formal Charge0
Complexity554
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

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CatalogName
HY-168984Milpecitinib

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