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SR-3029

CAT: 0013-GTR19163175-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163175-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR-3029 is a potent, highly selective, ATP-competitive and brain penetrating Casein Kinase 1δ/ε (CK1δ/ε) inhibitor with IC50 of 44/260 nM, respectively; inhibits melanoma A375 cell growth with IC50 of 86 nM; triggers apoptosis of CK1δ-expressing breast tumor cells ex vivo, tumor regression in orthotopic models of triple-negative breast cancer in mice model. (In Vitro) :The in vitro activities of Moxifloxacin and Amoxicillin are compared by time-kill curve and inhibition of intracellular growth experiments by using a model of bone marrow-derived mouse macrophages infected by L. monocytogenes EGDe. Moxifloxacin acts much more rapidly, beginning to exert its effects in the first 3 h and achieving complete broth sterilization within 24 h of incubation. Moxifloxacin appears to have a protective effect against macrophage lysis, as many cells are still viable after 24 h of incubation. (In Vivo) :SR-3029 (20 mg/kg daily i.p.) exibits anti-tumor effects in rthotopic MDA-MB-231, MDA-MB-468 (TNBC), SKBR3 and BT474 (HER2+) tumor xenografts with no overt toxicity in mice. SR-3029 (20 mg/kg daily i.p.) also effectively inhibits the growth of tumor in primary patient-derived xenograft (PDX) models. In addition, SR-3029 (20 mg/kg, i.p.) strongly reduces the expression of nuclear β-catenin in tumors of mice.
CAS Number
1454585-06-8
Product Name Alternative
SR3029
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 30 mg/mL
Smiles
FC1=CC (N2C=NC3=C (NCC4=NC5=CC=C (F) C (F) =C5N4) N=C (N6CCOCC6) N=C23) =CC=C1
Molecular Formula
C23H19F3N8O
Molecular Weight
480.4452
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
9H-Purin-6-amine, N-[ (6,7-difluoro-1H-benzimidazol-2-yl) methyl]-9- (3-fluorophenyl) -2- (4-morpholinyl) -

Chemical Information

N-((6,7-Difluoro-1H-benzo[d]imidazol-2-yl)methyl)-9-(3-fluorophenyl)-2-morpholino-9H-purin-6-amine
CAS Number1454585-06-8
PubChem CID60196195
IUPAC NameN-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine
Molecular FormulaC23H19F3N8O
Molecular Weight480.4
XLogP3.5
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity720
SMILES
C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC(=CC=C4)F)NCC5=NC6=C(N5)C=CC(=C6F)F
InChI
InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
InChIKey
CEBMEQPREMCWOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((6,7-Difluoro-1H-benzo[d]imidazol-2-yl)methyl)-9-(3-fluorophenyl)-2-morpholino-9H-purin-6-amine
CAS: 1454585-06-8
CID: 60196195
Formula: C23H19F3N8O
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass480.16339175
Monoisotopic Mass480.16339175
Topological Polar Surface Area96.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity720
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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