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CC-99677

CAT: 0013-GTR19189536-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189536-05Size:50 mg
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Description
CC-99677 (Gamcemetinib) is a covalent, selective MK2 inhibitor developed for autoimmune disease research. It exhibits potent biochemical (IC50=156.3 nM) and cellular (EC50=89 nM in THP-1 cells) activity by blocking HSP27 phosphorylation via an SNAr mechanism. Its profile supports investigation into inflammatory pathways in both in vitro and in vivo models.
CAS Number
1887069-10-4
Product Name Alternative
Gamcemetinib, HSP, MAPKAPK2 (MK2), CC 99677, CC99677, CC-99677
Field of Research
Metabolism Research, Signal Transduction
Purity
99.51% (May vary between batches)
Solubility
DMSO:14.1 mg/mL (30 mM)
Smiles
CCOCc1cnc (Cl) nc1Oc1ccc2c3c4NC[C@@H] (C) NC (=O) c4sc3ccc2n1
Molecular Formula
C22H20ClN5O3S
Molecular Weight
469.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gamcemetinib

Gamcemetinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Gamcemetinib is a tyrosine kinase inhibitor. Gamcemetinib is under investigation in clinical trial NCT04947579 (A Study of CC-99677 in Participants With Active Ankylosing Spondylitis). Gamcemetinib has a monoisotopic molecular weight of 469.1 Da.

CAS Number1887069-10-4
PubChem CID118936948
IUPAC Name(15R)-5-[2-chloro-5-(ethoxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
Molecular FormulaC22H20ClN5O3S
Molecular Weight469.9
XLogP4.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity677
SMILES
CCOCC1=CN=C(N=C1OC2=NC3=C(C=C2)C4=C(C=C3)SC5=C4NC[C@H](NC5=O)C)Cl
InChI
InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1
InChIKey
PYOQIOLRFIRRSO-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Gamcemetinib
CAS: 1887069-10-4
CID: 118936948
Formula: C22H20ClN5O3S
MW: 469.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.9
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass469.0975384
Monoisotopic Mass469.0975384
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity677
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

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