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CMLD012612

CAT: 0013-GTR19206187-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206187-02Size:50 mg
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Description
CMLD012612 is a potent small molecule inhibitor of eukaryotic initiation factor 4A (eIF4A), demonstrating cytotoxic activity with an IC50 of 2 nM in NIH/3T3 cells by disrupting protein synthesis. This compound is a valuable research tool for studying translation initiation mechanisms in cancer biology and cellular stress responses, applicable in both in vitro and in vivo experimental models.
CAS Number
2368900-35-8
Field of Research
Cell Biology
Smiles
CON (C) C (=O) [C@@H]1[C@@H] (c2ccccc2) [C@@]2 (Oc3cc (OC) cc (OC) c3[C@@]22NC (C) =N[C@@]12O) c1ccc (OC) cc1
Molecular Formula
C31H33N3O7
Molecular Weight
559.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,9R,10S,11R,12R)-12-hydroxy-N,3,5-trimethoxy-9-(4-methoxyphenyl)-N,14-dimethyl-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,14-tetraene-11-carboxamide
CAS Number2368900-35-8
PubChem CID145712379
IUPAC Name(1R,9R,10S,11R,12R)-12-hydroxy-N,3,5-trimethoxy-9-(4-methoxyphenyl)-N,14-dimethyl-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,14-tetraene-11-carboxamide
Molecular FormulaC31H33N3O7
Molecular Weight559.6
XLogP2.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1010
SMILES
CC1=N[C@]23C4=C(C=C(C=C4OC)OC)O[C@]2([C@@H]([C@H]([C@@]3(N1)O)C(=O)N(C)OC)C5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI
InChI=1S/C31H33N3O7/c1-18-32-30-26-23(39-5)16-22(38-4)17-24(26)41-29(30,20-12-14-21(37-3)15-13-20)25(19-10-8-7-9-11-19)27(31(30,36)33-18)28(35)34(2)40-6/h7-17,25,27,36H,1-6H3,(H,32,33)/t25-,27+,29+,30-,31-/m1/s1
InChIKey
GEGBQVSIWBLDJE-GRNIXUCMSA-N
Chemical Structure
2D Structure
2D structure of (1R,9R,10S,11R,12R)-12-hydroxy-N,3,5-trimethoxy-9-(4-methoxyphenyl)-N,14-dimethyl-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,14-tetraene-11-carboxamide
CAS: 2368900-35-8
CID: 145712379
Formula: C31H33N3O7
MW: 559.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass559.23185040
Monoisotopic Mass559.23185040
Topological Polar Surface Area111 Ų
Heavy Atom Count41
Formal Charge0
Complexity1010
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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