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IZMYND8-34

CAT: 0931-T206934-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T206934-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1358901-59-3
Target
Others
Related Pathways
Others
Purity
0.9703
Bioactivity
IZMYND8-34 is an inhibitor targeting the histone decoder ZMYND8, suppressing its histone recognition and blocking neuroendocrine prostate cancer (NEPC) progression.
Smiles
O=C(N)C1=NC(=NC2=C1N(C(=O)N2C3=CC=C4OCOC4=C3)C)C=5C=CC=C(OCC)C5O
Molecular Formula
C22H19N5O6
Molecular Weight
449.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-(1,3-dioxaindan-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CAS Number1358901-59-3
PubChem CID136157522
IUPAC Name9-(1,3-benzodioxol-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxopurine-6-carboxamide
Molecular FormulaC22H19N5O6
Molecular Weight449.4
XLogP1.8
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity757
SMILES
CCOC1=CC=CC(=C1O)C2=NC(=C3C(=N2)N(C(=O)N3C)C4=CC5=C(C=C4)OCO5)C(=O)N
InChI
InChI=1S/C22H19N5O6/c1-3-31-14-6-4-5-12(18(14)28)20-24-16(19(23)29)17-21(25-20)27(22(30)26(17)2)11-7-8-13-15(9-11)33-10-32-13/h4-9,28H,3,10H2,1-2H3,(H2,23,29)
InChIKey
TXOKEXIYBBFOAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(1,3-dioxaindan-5-yl)-2-(3-ethoxy-2-hydroxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CAS: 1358901-59-3
CID: 136157522
Formula: C22H19N5O6
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass449.13353334
Monoisotopic Mass449.13353334
Topological Polar Surface Area140 Ų
Heavy Atom Count33
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP22438-01IZMYND8-34
168289IL-34 (IL-34, Interleukin-34)
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216710Interleukin 34 (IL-34)
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BA4402-5.1KSC-34

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