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UZH1b

CAT: 0013-GTR19231203-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231203-02Size:50 mg
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Description
UZH1b is the less active enantiomer of the METTL3 inhibitor UZH1a, exhibiting an IC50 of 28 μM. This compound serves as a useful negative control in biochemical and cellular studies investigating the role of METTL3-mediated m6A methylation in cancer and development.
CAS Number
2814392-17-9
Smiles
C (NC (=O) C1=C (O) C=C (CN2CCC (C) (C) CC2) C=C1) [C@]3 (O) CN (CCC3) C=4C=C (NCC5=CC=CC=C5) N=CN4
Molecular Formula
C32H42N6O3
Molecular Weight
558.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 162642621
CAS Number2814392-17-9
PubChem CID162642621
IUPAC NameN-[[(3S)-1-[6-(benzylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-hydroxybenzamide
Molecular FormulaC32H42N6O3
Molecular Weight558.7
XLogP4.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity828
SMILES
CC1(CCN(CC1)CC2=CC(=C(C=C2)C(=O)NC[C@]3(CCCN(C3)C4=NC=NC(=C4)NCC5=CC=CC=C5)O)O)C
InChI
InChI=1S/C32H42N6O3/c1-31(2)12-15-37(16-13-31)20-25-9-10-26(27(39)17-25)30(40)34-21-32(41)11-6-14-38(22-32)29-18-28(35-23-36-29)33-19-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,39,41H,6,11-16,19-22H2,1-2H3,(H,34,40)(H,33,35,36)/t32-/m0/s1
InChIKey
PWYRDVXYAOGDNK-YTTGMZPUSA-N
Chemical Structure
2D Structure
2D structure of CID 162642621
CAS: 2814392-17-9
CID: 162642621
Formula: C32H42N6O3
MW: 558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.7
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass558.33183922
Monoisotopic Mass558.33183922
Topological Polar Surface Area114 Ų
Heavy Atom Count41
Formal Charge0
Complexity828
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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