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Zavondemstat L-lysine

CAT: 0931-T208733-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T208733-01Size:10 mg
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CAS Number
2908753-10-4
Target
Histone Demethylase
Related Pathways
Chromatin/Epigenetic
Bioactivity
Zavondemstat (L-lysine) (QC8222; TACH 101) is an inhibitor of the histone lysine demethylase 4D (KDM4D) with antitumor properties.
Smiles
[C@H](CCCCN)(C(O)=O)N.C(NC=1C(C(O)=O)=CC=NC1)[C@H]2C=3C(=CC(N(C)C4=CC=C(C(C)C)C=C4)=CC3)OCC2
Molecular Formula
C32H43N5O5
Molecular Weight
577.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zavondemstat (L-lysine)
CAS Number2908753-10-4
PubChem CID170453358
IUPAC Name(2S)-2,6-diaminohexanoic acid;3-[[(4R)-7-(N-methyl-4-propan-2-ylanilino)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
Molecular FormulaC32H43N5O5
Molecular Weight577.7
Topological Polar Surface Area164
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity713
SMILES
CC(C)C1=CC=C(C=C1)N(C)C2=CC3=C(C=C2)[C@@H](CCO3)CNC4=C(C=CN=C4)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
InChI
InChI=1S/C26H29N3O3.C6H14N2O2/c1-17(2)18-4-6-20(7-5-18)29(3)21-8-9-22-19(11-13-32-25(22)14-21)15-28-24-16-27-12-10-23(24)26(30)31;7-4-2-1-3-5(8)6(9)10/h4-10,12,14,16-17,19,28H,11,13,15H2,1-3H3,(H,30,31);5H,1-4,7-8H2,(H,9,10)/t19-;5-/m00/s1
InChIKey
APYKYNJSDFVPGX-FKFGKEJVSA-N
Chemical Structure
2D Structure
2D structure of Zavondemstat (L-lysine)
CAS: 2908753-10-4
CID: 170453358
Formula: C32H43N5O5
MW: 577.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass577.32641949
Monoisotopic Mass577.32641949
Topological Polar Surface Area164 Ų
Heavy Atom Count42
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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