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MRT 199665

CAT: 0013-GTR19237288-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237288-01Size:5 mg
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Description
MRT 199665 is a potent salt-inducible kinases (SIKs) inhibitor with IC50 of 110, 12, 43 nM for SIK1,2,3 respectively; also inhibits AMPKα1/α2 (both IC50=10 nM), MARK1/2/3/4 (both IC50=2 nM), NUAK1/2 (IC50=3/120 nM), and MELK (IC50=29 nM) ; elevates IL-10 production by inducing the dephosphorylation of CREB-regulated transcriptional coactivator 3 (CRTC3), increases LPS-stimulated IL-10 production and greatly suppressed proinflammatory cytokine secretion (IL-6, IL-12, and TNF) in macrophages. (In Vitro) :MRT199665 (1 μM; pre-treated for 1 h) increases LPS (100 ng/mL; stimulated for up to 24 h) -stimulated IL-10 mRNA and Nurr77 mRNA production, and IL-10 secretion.MRT199665 (1 nM-100 μM; 48 hours) reduces leukemia growth.MRT199665 treatment can block MEF2C S222 phosphorylation in acute myeloid leukemias (AML) cells. MRT199665 (10 nM-1000 nM; 12 hours) leads to a dose-dependent reduction in total and pS222 MEF2C. MRT199665 also causes a decrease of total MEF2C protein.
CAS Number
1456858-57-3
Product Name Alternative
MRT199665
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 125 mg/mL (266.20 mM)
Smiles
O=C1C (C) (C) C2=CN=C (S (=O) (C) =O) N=C2N1[C@H]3CCC4=C3C=CC=C4O
Molecular Formula
C18H19N3O4S
Molecular Weight
373.43
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
7-[ (1S) -4-Hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2- (methylsulfonyl) -5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

Chemical Information

7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
CAS Number1456858-57-3
PubChem CID71725150
IUPAC Name7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidin-6-one
Molecular FormulaC28H31N5O2
Molecular Weight469.6
XLogP4.3
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
CC1(C2=CN=C(N=C2N(C1=O)[C@H]3CCC4=C3C=CC=C4O)NC5=CC=CC(=C5)CN6CCCC6)C
InChI
InChI=1S/C28H31N5O2/c1-28(2)22-16-29-27(30-19-8-5-7-18(15-19)17-32-13-3-4-14-32)31-25(22)33(26(28)35)23-12-11-21-20(23)9-6-10-24(21)34/h5-10,15-16,23,34H,3-4,11-14,17H2,1-2H3,(H,29,30,31)/t23-/m0/s1
InChIKey
OFIFLUFVENTCNZ-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
CAS: 1456858-57-3
CID: 71725150
Formula: C28H31N5O2
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass469.24777525
Monoisotopic Mass469.24777525
Topological Polar Surface Area81.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
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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