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BC-LI-0186 - ≥98%(HPLC), high purity , CAS No.695207-56-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 695207-56-8
Molecular Weight: 429.54
PubChem CID: 4917788

In stock

Item Number

B286981

Grouped product items
SKU	Size	Availability	Price
B286981-5mg	5mg	3	$88.90
B286981-10mg	10mg	2	$147.90
B286981-25mg	25mg	2	$325.90
B286981-50mg	50mg	1	$513.90
B286981-100mg	100mg	2	$791.90

Leucyl-tRNA synthase (TRS)/Ras-related GTP-binding protein D (RagD) interaction inhibitor

View related series

Aminoacyl-tRNA Synthetase (14) Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395)

Basic Description

Synonyms	4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide \| AC8232 \| MS-27621 \| MFCD05259468 \| BC-LI-0186 \| 4-(4-isopropyl-2,3-dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide \| AKOS003397427 \| S
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and high affinity leucyl-tRNA synthase (TRS)/Ras-related GTP-binding protein D (RagD) interaction inhibitor (IC50= 46.1 nM; Kd= 42.1 nM for binding to LRS). Inhibits mTOR complex 1 activity by blocking binding to LRS without affecting catalytic act
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrazolones Organosulfonamides Vinylogous amides Heteroaromatic compounds Aminosulfonyl compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Lactam - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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

Names and Identifiers

IUPAC Name	4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
INCHI	InChI=1S/C22H27N3O4S/c1-16(2)21-17(3)24(4)25(22(21)26)18-10-12-20(13-11-18)30(27,28)23-14-15-29-19-8-6-5-7-9-19/h5-13,16,23H,14-15H2,1-4H3
InChIKey	SQYWMHPZMHDCHP-UHFFFAOYSA-N
Smiles	CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCCOC3=CC=CC=C3)C(C)C
Isomeric SMILES	CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCCOC3=CC=CC=C3)C(C)C
Molecular Weight	429.54
Reaxy-Rn	32014075
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32014075&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
L2213023	Certificate of Analysis	Sep 16, 2022	B286981
L2213025	Certificate of Analysis	Sep 16, 2022	B286981
L2213026	Certificate of Analysis	Sep 16, 2022	B286981
L2213022	Certificate of Analysis	Sep 16, 2022	B286981
L2213024	Certificate of Analysis	Sep 16, 2022	B286981
C2514375	Certificate of Analysis	Sep 16, 2022	B286981

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 42.95, Max Conc. mM: 100
Molecular Weight	429.500 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	429.172 Da
Monoisotopic Mass	429.172 Da
Topological Polar Surface Area	87.300 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	730.000
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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