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RNA polymerase-IN-2

CAT: 0013-GTR19234684-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234684-01Size:10 mg
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Description
RNA polymerase-IN-2 is a dual-function small molecule that potently inhibits DNA-dependent RNA polymerase and various CYP450 isozymes. This compound is a valuable research tool for investigating transcriptional regulation and drug metabolism pathways in both cellular and biochemical assays.
CAS Number
2447106-79-6
Field of Research
Cell Biology, Molecular Biology
Molecular Formula
C47H57N3O14
Molecular Weight
887.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21E)-30-[2-(dimethylamino)ethoxy]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-34-azahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
CAS Number2447106-79-6
PubChem CID177864550
IUPAC Name[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21E)-30-[2-(dimethylamino)ethoxy]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-34-azahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
Molecular FormulaC48H58N2O14
Molecular Weight887.0
XLogP2.4
Topological Polar Surface Area220
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count64
Formal Charge0
Complexity2370
SMILES
C[C@H]1/C=C\C=C(\C(=O)CC2=C3C(=C4C(=C(C(=C5C4=C([C@](O5)(O/C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)OCCN(C)C)O3)/C
InChI
InChI=1S/C48H58N2O14/c1-22-13-12-14-23(2)40(54)25(4)41(55)26(5)44(62-28(7)51)24(3)33(59-11)15-17-61-48(8)47(58)37-35-36(42(56)27(6)45(37)64-48)43(57)30(21-31(22)52)46-39(35)49-38-32(53)19-29(20-34(38)63-46)60-18-16-50(9)10/h12-15,17,19-20,23-26,33,40-41,44,54-56,58H,16,18,21H2,1-11H3/b14-12-,17-15-,22-13+/t23-,24+,25+,26+,33-,40-,41+,44+,48-/m0/s1
InChIKey
YEFQWNSELYYXDD-OBJBWHGKSA-N
Chemical Structure
2D Structure
2D structure of [(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21E)-30-[2-(dimethylamino)ethoxy]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-34-azahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
CAS: 2447106-79-6
CID: 177864550
Formula: C48H58N2O14
MW: 887.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight887.0
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass886.38880453
Monoisotopic Mass886.38880453
Topological Polar Surface Area220 Ų
Heavy Atom Count64
Formal Charge0
Complexity2370
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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