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Screening compounds

Bms453

Also known as BMS 453, Benzoic acid, 4-(2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-, (E)-, BMS 189453

CAS 166977-43-1Formula C27H24O2Molar mass 380.49 g/mol
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Bms453 chemical structure, C27H24O2, CAS 166977-43-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
166977-43-1
Formula
C27H24O2
Molar mass
380.49 g/mol
HS code
291639
Category
Screening compounds

What is Bms453?

Plain description, key identifiers and synonyms

BMS-453 is a member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma. It has a role as a teratogenic agent, a retinoic acid receptor alpha antagonist, a retinoic acid receptor beta agonist and a retinoic acid receptor gamma antagonist. It is a member of benzoic acids, a stilbenoid and a member of dihydronaphthalenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid
CAS number
166977-43-1 CAS number cross-checkedOther or deprecated CAS: 164108-16-1
Molecular formula
C27H24O2
UNII
M531IV9E0V
MDL number
MFCD18086870
InChIKey
VUODRPPTYLBGFM-CMDGGOBGSA-N
InChI
InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
Canonical SMILES
CC1(C)CC=C(c2ccccc2)c2cc(C=Cc3ccc(C(=O)O)cc3)ccc21
Isomeric SMILES
CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C

Synonyms

  • BMS 453
  • Benzoic acid, 4-(2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-, (E)-
  • BMS 189453
  • (E)-4-(2-(5,5-Dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)vinyl)benzoic acid
  • 4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic Acid
  • Benzoic acid, 4-[(1E)-2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl]-
  • E)-4-[2-(5,6-Dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl]-benzoic acid
  • (E)-4-(2-(5,5-Dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)vinyl)benzoicacid
  • (E)-4-[2-(5,5-Dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)vinyl]benzoic acid
  • Benzoic acid, 4-((1E)-2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-
  • 4-[(1E)-2-(5,6-Dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl]-benzoic acid
  • BMS 453, BMS453, BMS 189453, BMS-189453, BMS189453
  • BMS-189453?
  • BMS-189453, >=98% (HPLC)
  • 4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)vinyl]benzoic acid
  • 4-[(1E)-2-(5,5-Dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid
  • 4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)vinyl]benzoic acid

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
380.49 g/molcalc.
Exact mass
380.1776 Dacalc.
LogP (octanol/water)
6.67calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.15calc.
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, C(=Cc1ccc2c(c1)C(c1ccccc1)=CCC2)c1ccccc1

C(=Cc1ccc2c(c1)C(c1ccccc1)=CCC2)c1ccccc1

4 rings, 24 atoms.

1 other chemical 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.

Bms453 suppliers

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Bms453 price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • aetiopathogenetic role
  • agonist
  • antagonist
  • nuclear receptor modulator
  • pharmaceutical
  • receptor modulator
  • retinoic acid receptor agonist
  • retinoic acid receptor alpha antagonist
  • retinoic acid receptor antagonist
  • retinoic acid receptor beta agonist
  • retinoic acid receptor gamma antagonist
  • retinoic acid receptor modulator
  • teratogenic agent

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 Bms453 is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$706M
−6.8% vs 2023, imports $714M
2019 to 2024
Top exporters
  1. China49.0%
  2. India * partner reported16.2%
  3. Germany13.2%
Top importers
  1. India * partner reported14.5%
  2. United States12.2%
  3. Germany8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Bms453 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bms453, based on the data on this page

What is Bms453?

BMS-453 is a member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer).

What is the CAS number of Bms453?

The CAS registry number of Bms453 is 166977-43-1. Other or deprecated CAS numbers: 164108-16-1.

What is the molecular formula and weight of Bms453?

The molecular formula of Bms453 is C27H24O2 and its molar mass is 380.49 g/mol.

What is Bms453 used for?

Known uses and roles of Bms453 include building blocks in research and laboratory, screening compounds in research and laboratory, aetiopathogenetic role, agonist, antagonist and 10 more.

Is Bms453 hazardous?

No GHS hazard classification for Bms453 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 Bms453?

Bms453 is usually classified under HS code 291639 (Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bms453?

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What is the price of Bms453?

Suppliers quote Bms453 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 Bms453

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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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