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MCB-613

CAT: 0926-MWB65622-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-MWB65622-03Size:100 mg
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CAS Number
1162656-22-5
MDL Number
MFCD01209975
Smiles
CCN1C/C (=C\C2=CN=CC=C2) /C (=O) /C (=C/C3=CN=CC=C3) /C1
Molecular Formula
C20H20N2O
Molecular Weight
304.39 g/mol
Controlled
No

Chemical Information

Mcb-613

MCB-613 is a cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells. It has a role as an antineoplastic agent and a steroid receptor coactivator stimulator. It is a member of pyridines, a cyclic ketone and an enone.

CAS Number1162656-22-5
PubChem CID2175947
IUPAC Name(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
Molecular FormulaC20H20N2O
Molecular Weight304.4
XLogP3.7
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity440
SMILES
CCC1C/C(=C\C2=CN=CC=C2)/C(=O)/C(=C/C3=CN=CC=C3)/C1
InChI
InChI=1S/C20H20N2O/c1-2-15-9-18(11-16-5-3-7-21-13-16)20(23)19(10-15)12-17-6-4-8-22-14-17/h3-8,11-15H,2,9-10H2,1H3/b18-11+,19-12+
InChIKey
MMBSCBVEHMETSA-GDAWTGGTSA-N
Chemical Structure
2D Structure
2D structure of Mcb-613
CAS: 1162656-22-5
CID: 2175947
Formula: C20H20N2O
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass304.157563266
Monoisotopic Mass304.157563266
Topological Polar Surface Area42.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19161423-01MCB-613
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A13415-10MCB-613 10mg
A13415-2MCB-613 2mg
A13415-50MCB-613 50mg
A13415-25MCB-613 25mg
A13415-5MCB-613 5mg
A13415-1MCB-613 1mg
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