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MG-002

CAT: 0013-GTR19274855-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274855-01Size:10 mg
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Description
MG-002 is an orally active eIF4A inhibitor. It suppresses mRNA translation by non-productively clamping eukaryotic translation initiation factor 4A (eIF4A) onto RNA, thereby hindering ribosome recruitment and scanning. MG-002 selectively inhibits the growth and metastasis of triple-negative breast cancer (TNBC) tumors and induces apoptosis. It also significantly reduces the expression of c-MYC and cyclin D1 proteins. MG-002 is useful for TNBC research.
CAS Number
3076503-34-6
Smiles
O[C@]12[C@] ([C@@H] ([C@@H] (C (NOC) =O) [C@H]1O) C3=CC=CC=C3) (OC=4C2=C (OC) N=C (OC) C4) C5=CC=C (C#N) C=C5
Molecular Formula
C27H25N3O7
Molecular Weight
503.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,3R,4R,5S,6R)-6-(4-cyanophenyl)-2,3-dihydroxy-N,10,12-trimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene-4-carboxamide
CAS Number3076503-34-6
PubChem CID176713582
IUPAC Name(2S,3R,4R,5S,6R)-6-(4-cyanophenyl)-2,3-dihydroxy-N,10,12-trimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene-4-carboxamide
Molecular FormulaC27H25N3O7
Molecular Weight503.5
XLogP2
Topological Polar Surface Area143
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity882
SMILES
COC1=NC(=C2C(=C1)O[C@@]3([C@]2([C@@H]([C@@H]([C@H]3C4=CC=CC=C4)C(=O)NOC)O)O)C5=CC=C(C=C5)C#N)OC
InChI
InChI=1S/C27H25N3O7/c1-34-19-13-18-22(25(29-19)35-2)26(33)23(31)20(24(32)30-36-3)21(16-7-5-4-6-8-16)27(26,37-18)17-11-9-15(14-28)10-12-17/h4-13,20-21,23,31,33H,1-3H3,(H,30,32)/t20-,21-,23-,26+,27+/m1/s1
InChIKey
WTENXFJWMGLPQX-WFINZZCUSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R,4R,5S,6R)-6-(4-cyanophenyl)-2,3-dihydroxy-N,10,12-trimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene-4-carboxamide
CAS: 3076503-34-6
CID: 176713582
Formula: C27H25N3O7
MW: 503.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass503.16925015
Monoisotopic Mass503.16925015
Topological Polar Surface Area143 Ų
Heavy Atom Count37
Formal Charge0
Complexity882
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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