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ZY-444

CAT: 0013-GTR19185974-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185974-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZY-444 is a small molecule compound with demonstrated anticancer properties. It suppresses prostate cancer (PCa) cell proliferation and metastasis in vitro and inhibits the growth of subcutaneous tumor xenografts in vivo, making it a useful research tool for oncology studies.
CAS Number
1802650-31-2
Purity
99.14% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:3.3 mg/mL (7.42 mM) ; DMSO:80 mg/mL (179.94 mM)
Smiles
N=1C=CC (=NC1NCC (C) C) NCC=2SC (=CC2) C=3C=CC (OCC=4C=CC=CC4) =CC3
Molecular Formula
C26H28N4OS
Molecular Weight
444.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N2-(2-Methylpropyl)-N4-[[5-[4-(phenylmethoxy)phenyl]-2-thienyl]methyl]-2,4-pyrimidinediamine
CAS Number1802650-31-2
PubChem CID141726736
IUPAC Name2-N-(2-methylpropyl)-4-N-[[5-(4-phenylmethoxyphenyl)thiophen-2-yl]methyl]pyrimidine-2,4-diamine
Molecular FormulaC26H28N4OS
Molecular Weight444.6
XLogP6.5
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity522
SMILES
CC(C)CNC1=NC=CC(=N1)NCC2=CC=C(S2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C26H28N4OS/c1-19(2)16-29-26-27-15-14-25(30-26)28-17-23-12-13-24(32-23)21-8-10-22(11-9-21)31-18-20-6-4-3-5-7-20/h3-15,19H,16-18H2,1-2H3,(H2,27,28,29,30)
InChIKey
ROSPRUQNDJIWDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-(2-Methylpropyl)-N4-[[5-[4-(phenylmethoxy)phenyl]-2-thienyl]methyl]-2,4-pyrimidinediamine
CAS: 1802650-31-2
CID: 141726736
Formula: C26H28N4OS
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass444.19838270
Monoisotopic Mass444.19838270
Topological Polar Surface Area87.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity522
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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