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BMS453

CAT: 0931-T21714-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21714-05Size:50 mg
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CAS Number
166977-43-1
Target
Retinoid Receptor
Related Pathways
Metabolism
Purity
0.9993
Bioactivity
BMS453 (BMS-189453), a synthetic retinoid, is a potent and selective agonist of RARβ and a potent testicular toxin. BMS453 inhibits breast cell growth predominantly through the induction of active TGFβ.
Smiles
CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
Molecular Formula
C27H24O2
Molecular Weight
380.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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). 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.

CAS Number166977-43-1
PubChem CID9875424
IUPAC Name4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid
Molecular FormulaC27H24O2
Molecular Weight380.5
XLogP6.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity629
SMILES
CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C
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+
InChIKey
VUODRPPTYLBGFM-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of Bms453
CAS: 166977-43-1
CID: 9875424
Formula: C27H24O2
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass380.177630004
Monoisotopic Mass380.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity629
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

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CatalogName
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CatalogName
MBS5773166BMS453
A22082-100BMS453 100mg
A22082-5BMS453 5mg
HY-100608RBMS453 (Standard)
A22082-50BMS453 50mg
A22082-25BMS453 25mg
A22082-10BMS453 10mg
A22082-10mM-DBMS453 10mM * 1mL in DMSO

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