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Small Molecules & Compound Libraries
BMS 195614 - ≥97%, high purity , CAS No.253310-42-8

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BMS 195614 - ≥97%, high purity , CAS No.253310-42-8

COA

Grade & Purity:

≥97%

Cas Number: 253310-42-8
Molecular Weight: 448.51
PubChem CID: 445091
PubChem SID: 488189834

In stock

Item Number

B346102

Grouped product items
SKU	Size	Availability	Price
B346102-10mg	10mg	6	$227.90
B346102-50mg	50mg	5	$949.90
B346102-250mg	250mg	5	$4,270.90

a neutral RARα (retinoic acid receptor α) inhibitor

Basic Description

Synonyms	4-(5,5-Dimethyl-8-(quinolin-3-yl)-5,6-dihydronaphthalene-2-carboxamido)benzoic acid \| CALCIUM HYDROXIDE [JAN] \| BMS614 \| Ruthenium(III) chloride hydrate (40-43% Ru) (99.99+%-Ru) [free of Ru(II) and Ru(IV) by electrochemical analysis] \| SCHEMBL6756065 \| AK
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	BMS 195614 is a selective neutral RARα inhibitor and exhibits no significant effect on NCoR binding. The compound potentially decreases agonist-induced coactivator recruitment and SMRT binding to RAR. RARs, or Retinoic Acid Receptors, are nuclear hormone receptors that form heterodimers with RXRs (Retinoid X Receptors).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Sesquiterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Sesquiterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Sesquiterpenoids
Alternative Parents	Aromatic anilides Naphthalenecarboxamides Quinolines and derivatives Benzoic acids Benzoyl derivatives Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Sesquiterpenoid - Cadinane sesquiterpenoid - Aromatic anilide - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Quinoline - Naphthalene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

Ki Data	Neutral retinoic acid receptor α: Ki= 2.5 nM

Associated Targets(Human)

RARA Tclin Retinoic acid receptor alpha (0 Activities)

Discover Target: RARA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RARA Tclin Retinoic acid receptor alpha (1324 Activities)

Discover Target: RARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488189834
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189834
IUPAC Name	4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid
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
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
Isomeric 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
Alternate CAS	182135-66-6
Molecular Weight	448.51
Reaxy-Rn	24414151
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24414151&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2321744	Certificate of Analysis	Mar 20, 2023	B346102
D2321756	Certificate of Analysis	Mar 20, 2023	B346102
D2321754	Certificate of Analysis	Mar 20, 2023	B346102
D2321757	Certificate of Analysis	Mar 20, 2023	B346102
D2321755	Certificate of Analysis	Mar 20, 2023	B346102
D2321781	Certificate of Analysis	Mar 20, 2023	B346102

Chemical and Physical Properties

Solubility	Soluble in DMSO (25 mM).
Refractive Index	n20D1.69 (Predicted)
Boil Point(°C)	607.26° C at 760 mmHg (Predicted)
Melt Point(°C)	300.64° C (Predicted)
Molecular Weight	448.500 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	448.179 Da
Monoisotopic Mass	448.179 Da
Topological Polar Surface Area	79.300 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	797.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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