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IMT1B

CAT: 0931-T8842-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T8842-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2304621-06-3
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.9983
Bioactivity
IMT1B (LDC203974) is an orally administered, specific noncompetitive allosteric inhibitor of mitochondrial RNA polymerase (POLRMT), effectively suppressing mitochondrial DNA (mtDNA) expression and conferring anti-tumor properties.
Smiles
C[C@@H](Oc1ccc2c(cc(=O)oc2c1)-c1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](C1)C(O)=O
Molecular Formula
C24H21ClFNO6
Molecular Weight
473.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-1-((R)-2-((4-(2-Chloro-4-fluorophenyl)-2-oxo-2H-chromen-7-yl)oxy)propanoyl)piperidine-3-carboxylic acid
CAS Number2304621-06-3
PubChem CID138490769
IUPAC Name(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
Molecular FormulaC24H21ClFNO6
Molecular Weight473.9
XLogP3.7
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity806
SMILES
C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C4=C(C=C(C=C4)F)Cl
InChI
InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14+/m1/s1
InChIKey
PFEKWBKJUBCXDT-KGLIPLIRSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-((R)-2-((4-(2-Chloro-4-fluorophenyl)-2-oxo-2H-chromen-7-yl)oxy)propanoyl)piperidine-3-carboxylic acid
CAS: 2304621-06-3
CID: 138490769
Formula: C24H21ClFNO6
MW: 473.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass473.1041432
Monoisotopic Mass473.1041432
Topological Polar Surface Area93.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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