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GDC-0214

CAT: 0013-GTR19166743-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166743-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GDC-0214 is an investigational, inhaled small molecule that selectively inhibits JAK1. It has been shown to reduce fractional exhaled nitric oxide (FeNO), a biomarker of airway inflammation, in preclinical research relevant to asthma and other respiratory diseases.
CAS Number
1831144-46-7
Product Name Alternative
GDC 0214, GDC0214, GDC-0214, JAK1
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.54% (May vary between batches)
Solubility
DMSO:9 mg/mL (14.71 mM)
Smiles
N (C (=O) C1=C2N (N=C1) C=CC=N2) C=3C (=NN (CC (=O) N4CCC (N (CCC#N) C) CC4) C3) C5=C (OC (F) F) C=CC (Cl) =C5
Molecular Formula
C28H28ClF2N9O3
Molecular Weight
612.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3-(5-Chloro-2-(difluoromethoxy)phenyl)-1-(2-(4-((2-cyanoethyl)(methyl)amino)piperidin-1-yl)-2-oxoethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Number1831144-46-7
PubChem CID118522534
IUPAC NameN-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-cyanoethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC28H28ClF2N9O3
Molecular Weight612.0
XLogP2.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1010
SMILES
CN(CCC#N)C1CCN(CC1)C(=O)CN2C=C(C(=N2)C3=C(C=CC(=C3)Cl)OC(F)F)NC(=O)C4=C5N=CC=CN5N=C4
InChI
InChI=1S/C28H28ClF2N9O3/c1-37(10-2-8-32)19-6-12-38(13-7-19)24(41)17-39-16-22(35-27(42)21-15-34-40-11-3-9-33-26(21)40)25(36-39)20-14-18(29)4-5-23(20)43-28(30)31/h3-5,9,11,14-16,19,28H,2,6-7,10,12-13,17H2,1H3,(H,35,42)
InChIKey
ITNFPSJJBYFVEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(5-Chloro-2-(difluoromethoxy)phenyl)-1-(2-(4-((2-cyanoethyl)(methyl)amino)piperidin-1-yl)-2-oxoethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS: 1831144-46-7
CID: 118522534
Formula: C28H28ClF2N9O3
MW: 612.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight612.0
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass611.1971698
Monoisotopic Mass611.1971698
Topological Polar Surface Area134 Ų
Heavy Atom Count43
Formal Charge0
Complexity1010
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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