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Solcitinib

CAT: 0931-T3620-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T3620-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1206163-45-2
Target
JAK
Related Pathways
Chromatin/Epigenetic, JAK/STAT signaling, Tyrosine Kinase/Adaptors, Angiogenesis, Stem Cells
Purity
0.9982
Bioactivity
Solcitinib (GLPG-0778) (GSK2586184, GLPG0778) is a JAK1 inhibitor. Solcitinib may be potentially used for the treatment of psoriasis, ulcerative colitis, and systemic lupus erythematosus.
Smiles
CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Molecular Formula
C22H23N5O2
Molecular Weight
389.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Solcitinib

Solcitinib is a small molecule drug. The usage of the INN stem '-citinib' in the name indicates that Solcitinib is a Janus kinase inhibitor. Solcitinib is under investigation in clinical trial NCT01777256 (An Adaptive Phase II Study to Evaluate the Efficacy, Pharmacodynamics, Safety and Tolerability of GSK2586184). Solcitinib has a monoisotopic molecular weight of 389.19 Da.

CAS Number1206163-45-2
PubChem CID44603362
IUPAC NameN-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
Molecular FormulaC22H23N5O2
Molecular Weight389.4
XLogP2.8
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity648
SMILES
CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C
InChI
InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
InChIKey
MPYACSQFXVMWNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Solcitinib
CAS: 1206163-45-2
CID: 44603362
Formula: C22H23N5O2
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass389.18517499
Monoisotopic Mass389.18517499
Topological Polar Surface Area79.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity648
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
BA4903-5Solcitinib
A14405-10Solcitinib 10mg
A14405-25Solcitinib 25mg
MBS3840349-01Solcitinib (GSK2586184)
A14405-5Solcitinib 5mg

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