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BMS 195614

CAT: 0013-GTR19202335-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202335-07Size:500 mg
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Description
BMS 195614 is a selective retinoic acid receptor alpha (RARα) antagonist that binds specifically to the RARα subunit. This small molecule is a valuable research tool for investigating RARα function in cellular differentiation and proliferation assays, both in vitro and in vivo.
CAS Number
253310-42-8
Product Name Alternative
182135-66-6, BMS 195614, BMS 614, BMS195614, BMS-195614, BMS614, BMS-614, RetinoidReceptor, Retinoid Receptor, RARα
Field of Research
Metabolism Research
Purity
97.14% (May vary between batches)
Solubility
DMSO:10.1 mg/mL (22.52 mM)
Smiles
CC1 (CC=C (C2=C1C=CC (=C2) C (=O) NC3=CC=C (C=C3) C (=O) O) C4=CC5=CC=CC=C5N=C4) C
Molecular Formula
C29H24N2O3
Molecular Weight
448.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid

BMS 195614 is a carboxamide resulting from the formal condensation of the carboxy group of 5,5-dimethyl-8-(quinolin-3-yl)-5,6-dihydronaphthalene-2-carboxylic acid with the amino group of p-aminobenzoic acid. It is a neutral retinoic acid receptor (RAR) alpha-selective antagonist (Ki = 2.5 nM). It displays no significant effect on nuclear receptor corepressor (NCoR) binding; moderately decreases SMRT binding to RAR. It antagonizes agonist-induced coactivator (CoA) recruitment. It has a role as a retinoic acid receptor alpha antagonist. It is a secondary carboxamide, a member of benzoic acids and a member of quinolines.

CAS Number253310-42-8
PubChem CID445091
IUPAC Name4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid
Molecular FormulaC29H24N2O3
Molecular Weight448.5
XLogP5.7
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity797
SMILES
CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4)C
InChI
InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)
InChIKey
WGLMBRZXZDAQHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5,6-Dihydro-5,5-dimethyl-8-(quinolin-3-yl)naphthalen-2-carboxamido)benzoic acid
CAS: 253310-42-8
CID: 445091
Formula: C29H24N2O3
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass448.17869263
Monoisotopic Mass448.17869263
Topological Polar Surface Area79.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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