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Screening compounds

Methylstat

Also known as methyl (E)-4-[hydroxy-[4-[[4-(naphthalen-1-ylcarbamoyloxymethyl)phenyl]methylamino]butyl]amino]-4-oxobut-2-enoate, (E)-methyl 4-(N-hydroxy-4-(4-((naphthalen-1-yl-carbamoyloxy)methyl)benzylamino)butylamino)-4-oxobut-2-enoate, Methylstat, >=98% (HPLC)

CAS 1310877-95-2Formula C28H31N3O6Molar mass 505.57 g/mol
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Methylstat chemical structure, C28H31N3O6, CAS 1310877-95-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1310877-95-2
Formula
C28H31N3O6
Molar mass
505.57 g/mol
HS code
292800
Category
Screening compounds

What is Methylstat?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (E)-4-[hydroxy-[4-[[4-(naphthalen-1-ylcarbamoyloxymethyl)phenyl]methylamino]butyl]amino]-4-oxobut-2-enoate
CAS number
1310877-95-2 CAS number cross-checked
Molecular formula
C28H31N3O6
InChIKey
MUJOCHRZXRZONW-FOCLMDBBSA-N
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+
Canonical SMILES
COC(=O)C=CC(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1
Isomeric SMILES
COC(=O)/C=C/C(=O)N(CCCCNCC1=CC=C(C=C1)COC(=O)NC2=CC=CC3=CC=CC=C32)O

Synonyms

  • methyl (E)-4-[hydroxy-[4-[[4-(naphthalen-1-ylcarbamoyloxymethyl)phenyl]methylamino]butyl]amino]-4-oxobut-2-enoate
  • (E)-methyl 4-(N-hydroxy-4-(4-((naphthalen-1-yl-carbamoyloxy)methyl)benzylamino)butylamino)-4-oxobut-2-enoate
  • Methylstat, >=98% (HPLC)
  • (2E)-4-[Hydroxy[4-[[[4-[[[(1-naphthalenylamino)carbonyl]oxy]methyl]phenyl]methyl]-amino]butyl]amino]-4-oxo-2-butenoic acid methyl ester
  • JMJD Histone Demethylase Inhibitor IV, Methylstat
  • Methyl (E)-4-(hydroxy(4-((4-(((naphthalen-1-ylcarbamoyl)oxy)methyl)benzyl)amino)butyl)amino)-4-oxobut-2-enoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
505.57 g/molcalc.
Exact mass
505.2213 Dacalc.
LogP (octanol/water)
4.41calc.
Topological polar surface area
117.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
12calc.
Heavy atoms
37calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1cccc2ccccc12)OCc1ccccc1

O=C(Nc1cccc2ccccc12)OCc1ccccc1

3 rings, 21 atoms, the RefChem:357139 ring system.

48 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Methylstat suppliers

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Methylstat price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • apoptosis inducer
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methylstat is traded under.

HS 2928.00Indicative HS code

Organic derivatives of hydrazine or of hydroxylamine

World exports in 2024
$1.38B
−9.0% vs 2023, imports $1.52B
2019 to 2024
Top exporters
  1. Switzerland * partner reported44.0%
  2. China18.4%
  3. Italy9.4%
Top importers
  1. Brazil21.8%
  2. United States12.8%
  3. Italy10.8%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Methylstat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methylstat, based on the data on this page

What is 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.

What is the CAS number of Methylstat?

The CAS registry number of Methylstat is 1310877-95-2.

What is the molecular formula and weight of Methylstat?

The molecular formula of Methylstat is C28H31N3O6 and its molar mass is 505.57 g/mol.

What is Methylstat used for?

Known uses and roles of Methylstat include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, apoptosis inducer and pharmaceutical.

Is Methylstat hazardous?

No GHS hazard classification for Methylstat is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Methylstat?

Methylstat is usually classified under HS code 292800 (Organic derivatives of hydrazine or of hydroxylamine). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methylstat?

Post a free request on CompoundList and suppliers of Methylstat will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Methylstat?

Suppliers quote Methylstat on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Methylstat

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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