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Methylstat

CAT: 0804-HY-15221-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15221-02Size:10 mg
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Description
Methylstat is a potent histone demethylases inhibitor. Methylstat shows anti-proliferative activity with low cytotoxicity. Methylstat induces apoptosis and cell cycle arrest at G0/G1 phase. Methylstat increases the expression of p53 and p21 protein levels. Methylstat inhibits angiogenesis induced by various cytokines. Methylstat can be used as a chemical probe for addressing its role in angiogenesis[1][2].
CAS Number
1310877-95-2
UNSPSC
12352005
Target
Apoptosis; Histone Demethylase; MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/methylstat.html
Purity
99.85
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COC(/C=C/C(N(O)CCCCNCC(C=C1)=CC=C1COC(NC2=CC=CC3=C2C=CC=C3)=O)=O)=O
Molecular Formula
C28H31N3O6
Molecular Weight
505.56
References & Citations
[1]Yumi Cho, et al. A histone demethylase inhibitor, methylstat, inhibits angiogenesis in vitro and in vivo. RSC Advances, 2014.|[2]Kacı FN, et al. Synergistic Apoptotic Effects of Bortezomib and Methylstat on Multiple Myeloma Cells. Arch Med Res. 2020 Apr;51 (3) :187-193.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methylstat

Methylstat is a member of the class of naphthalenes that is naphthalene substituted by a {[(4-{[(4-{hydroxy[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}butyl)amino]methyl}benzyl)oxy]carbonyl}amino group at position 1. It is an inhibitor of the Jumonji C domain-containing histone trimethyl demethylases. It has a role as an antineoplastic agent and an apoptosis inducer. It is a member of benzenes, a carbamate ester, a hydroxamic acid, a methyl ester, a member of naphthalenes, a secondary amino compound, an enoate ester and an enamide.

CAS Number1310877-95-2
PubChem CID53392493
IUPAC Namemethyl (E)-4-[hydroxy-[4-[[4-(naphthalen-1-ylcarbamoyloxymethyl)phenyl]methylamino]butyl]amino]-4-oxobut-2-enoate
Molecular FormulaC28H31N3O6
Molecular Weight505.6
XLogP3.4
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count37
Formal Charge0
Complexity752
SMILES
COC(=O)/C=C/C(=O)N(CCCCNCC1=CC=C(C=C1)COC(=O)NC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C28H31N3O6/c1-36-27(33)16-15-26(32)31(35)18-5-4-17-29-19-21-11-13-22(14-12-21)20-37-28(34)30-25-10-6-8-23-7-2-3-9-24(23)25/h2-3,6-16,29,35H,4-5,17-20H2,1H3,(H,30,34)/b16-15+
InChIKey
MUJOCHRZXRZONW-FOCLMDBBSA-N
Chemical Structure
2D Structure
2D structure of Methylstat
CAS: 1310877-95-2
CID: 53392493
Formula: C28H31N3O6
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass505.22128572
Monoisotopic Mass505.22128572
Topological Polar Surface Area117 Ų
Heavy Atom Count37
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T7057Methylstat
B2836-5Methylstat (hydrate)
KCC87795-01JMJD Histone Demethylase Inhibitor IV, Methylstat
217483JMJD Histone Demethylase Inhibitor IV, Methylstat ((E) -Methyl-4- (hydroxy (4- ((4- (((naphthalen-1-ylcarbamoyl) oxy) methyl) benzyl) amino) butyl) amino) -4-oxobut-2-enoate, Histone Lysine Demethylase Inhibitor VII, Methylstat)

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