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PFI-6

CAT: 1568-C03261-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C03261-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2675452-91-0
SKU
C03261-5mg
Target
Others
Applications
Others
Additionnal Information
PFI-6 is a selective MLLT1/3 probe that targets the YEATS domain of MLLT1 (ENL/YEATS1) and MLLT3 (AF9/YEATS3) with IC50 values of 140 nM and 160 nM for MLLT1 and MLLT3, respectively. PFI-6 demonstrates increased affinity and selectivity for MLLT1/3 than other human YEATS domain proteins (YEATS2/4) .

Chemical Information

(R)-N-(2,3-Dihydro-1H-inden-1-yl)-5-(4-(dimethylcarbamoyl)-3-hydroxyphenyl)isoxazole-3-carboxamide
CAS Number2675452-91-0
PubChem CID155925909
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide
Molecular FormulaC22H21N3O4
Molecular Weight391.4
XLogP3.2
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity613
SMILES
CN(C)C(=O)C1=C(C=C(C=C1)C2=CC(=NO2)C(=O)N[C@@H]3CCC4=CC=CC=C34)O
InChI
InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKey
IXWUILRSNIQHDM-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-(2,3-Dihydro-1H-inden-1-yl)-5-(4-(dimethylcarbamoyl)-3-hydroxyphenyl)isoxazole-3-carboxamide
CAS: 2675452-91-0
CID: 155925909
Formula: C22H21N3O4
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass391.15320616
Monoisotopic Mass391.15320616
Topological Polar Surface Area95.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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