Products for Research Use Only
RegisterLogin

GNE-9822

CAT: 0804-HY-12410-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-12410-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
GNE-9822 is a potent, orally active and selective ITK inhibitor with a Ki value of 0.7 nM, and an EC50 value of 354.5 nM. GNE-9822 has good ADME properties. GNE-9822 can be used in research of asthma[1][2].
CAS Number
1557232-32-2
UNSPSC
12352005
Target
Itk
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/gne-9822.html
Purity
98.47
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
CN(C)CC[C@H](N1N=CC(NC(C2=NNC3=C2CCC(C)(C)C3)=O)=C1)C4=CC=CC=C4
Molecular Formula
C24H32N6O
Molecular Weight
420.55
References & Citations
[1]Burch JD, et, al. Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J Med Chem. 2014 Jul 10;57 (13) :5714-27.|[2]Zhou D, et al. Discovery of Potent and Highly Selective Interleukin-2-Inducible T-Cell Kinase Degraders with In Vivo Activity. J Med Chem. 2023 Apr 13;66 (7) :4979-4998.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Gne-9822
CAS Number1557232-32-2
PubChem CID74983355
IUPAC NameN-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
Molecular FormulaC24H32N6O
Molecular Weight420.6
XLogP3.8
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity605
SMILES
CC1(CCC2=C(C1)NN=C2C(=O)NC3=CN(N=C3)[C@@H](CCN(C)C)C4=CC=CC=C4)C
InChI
InChI=1S/C24H32N6O/c1-24(2)12-10-19-20(14-24)27-28-22(19)23(31)26-18-15-25-30(16-18)21(11-13-29(3)4)17-8-6-5-7-9-17/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,31)(H,27,28)/t21-/m0/s1
InChIKey
XFYUTGIEFKGWND-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Gne-9822
CAS: 1557232-32-2
CID: 74983355
Formula: C24H32N6O
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass420.26375967
Monoisotopic Mass420.26375967
Topological Polar Surface Area78.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-122229GS-9822
HY-175448GNE-1567
HY-15883-01GNE-900
HY-107498-01GNE-8324
HY-141551-01GNE-274
HY-107409-01GNE 5729
HY-19775-01GNE-6468
HY-148238GNE-2256
HY-10811-01GNE-493
HY-18163-01GNE-7915

Alternative Products

CatalogName
BA8985-1GNE-9822
UND36241-01GS-9822
400606-01GNE
BA6483-25GNE-1858
BA6479-5GNE-495
BA6536-25GNE-9815
BA6476-1GNE-8505
BA3998-5GNE-371
BA4690-2GNE-272
BA9122-1GNE-7883

Popular Products