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L-365,260 - ≥99%(HPLC), high purity , CAS No.118101-09-0, Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor
Basic Description
Synonyms
UNII-370JHF4586 | (R)-N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylphenyl)-urea | MS-26737 | CHEBI:79548 | PDSP1_000921 | SCHEMBL5931098 | L365260 | L-365260 | L 365,260 | Urea, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,
Specifications & Purity
Moligand™, ≥99%(HPLC)
Biochemical and Physiological Mechanisms
Selective cholecystokinin receptor 2 (CCK2) antagonist (IC50values are 2 and 280 nM at CCK2and CCK1receptors respectively) that is inactive at a range of other receptors including opiate, muscarinic acetylcholine,α- andβadrenergic, histamine, angiotensin
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
N-phenylureas Alpha amino acids and derivatives Toluenes Tertiary carboxylic acid amides Ureas Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Urea - Carboxamide group - Ketimine - Lactam - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Imine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
benzodiazepine
Data sources
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.
Associated Targets(Human)
Names and Identifiers
IUPAC Name
1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
INCHI
InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
InChIKey
KDFQABSFVYLGPM-QFIPXVFZSA-N
Smiles
CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
Isomeric SMILES
CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
Molecular Weight
398.46
Reaxy-Rn
6490820
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6490820&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 39.85, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 39.85, Max Conc. mM: 100
Sensitivity
light sensitive
Molecular Weight
398.500 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
398.174 Da
Monoisotopic Mass
398.174 Da
Topological Polar Surface Area
73.800 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
658.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
Citations of This Product
1.
Yuanyuan Cao, Shuyi Shan, Yitong Lu, Jialu Luo, Yilin Li, Rongzhang Hao.
(2023)
Tuning toxic properties of polyethylene glycol-based deep eutectic solvents for achieving greener solvents. JOURNAL OF MOLECULAR LIQUIDS,
369
(120879).
2.
Zhuang He, Yunqiu Zhang, Jiapei Lv, Shuxing Zhou, Jianrui Niu, Zaixing Li, Xinzhong Wang, Thomas Wågberg, Guangzhi Hu.
(2022)
Microwave-assisted synthesis of amorphous cobalt nanoparticle decorated N-doped biochar for highly efficient degradation of sulfamethazine via peroxymonosulfate activation. Journal of Water Process Engineering,
50
(103226).
3.
Y. Ma, A.Y. Chen, X.F. Xie, X.Y. Wang, D. Wang, P. Wang, H.J. Li, J.H. Yang, Y. Li.
(2019)
Doping effect and fluorescence quenching mechanism of N-doped graphene quantum dots in the detection of dopamine. TALANTA,
196
(563).
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3 Citations
C2503409