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BMS641

CAT: 0804-HY-119518-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119518-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS641 (BMS-209641) is a selective RARβ agonist. BMS641 has a higher affinity for RARβ (Kd, 2.5 nM) that is 100 times higher than that for RARα (Kd, 225 nM) or RARγ (Kd, 223 nM) [1].
CAS Number
369364-50-1
Product Name Alternative
BMS-209641
UNSPSC
12352005
Target
RAR/RXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bms641.html
Purity
98.12
Solubility
DMSO : 8.33 mg/mL (ultrasonic)
Smiles
CC1(C2=CC=C(/C=C/C3=C(C=C(C=C3)C(O)=O)Cl)C=C2C(C4=CC=CC=C4)=CC1)C
Molecular Formula
C27H23ClO2
Molecular Weight
414.92
References & Citations
[1]Germain P, et al. Rational design of RAR-selective ligands revealed by RARbeta crystal stucture. EMBO Rep. 2004;5 (9) :877-882.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bms641

BMS641 (BMS-209641) is a selective RARbeta agonist.

CAS Number369364-50-1
PubChem CID22737393
IUPAC Name3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid
Molecular FormulaC27H23ClO2
Molecular Weight414.9
XLogP7.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity672
SMILES
CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=C(C=C(C=C3)C(=O)O)Cl)C4=CC=CC=C4)C
InChI
InChI=1S/C27H23ClO2/c1-27(2)15-14-22(19-6-4-3-5-7-19)23-16-18(9-13-24(23)27)8-10-20-11-12-21(26(29)30)17-25(20)28/h3-14,16-17H,15H2,1-2H3,(H,29,30)/b10-8+
InChIKey
FRTYVAKGTFXRNY-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of Bms641
CAS: 369364-50-1
CID: 22737393
Formula: C27H23ClO2
MW: 414.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.9
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass414.1386577
Monoisotopic Mass414.1386577
Topological Polar Surface Area37.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity672
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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