Loperamide HCl - Moligand™, ≥98% , Mu opioid receptor agonist, CAS No.34552-83-5, Mu opioid receptor agonist

CAS: 34552-83-5 Cat. No.: L129465 분자식: C₂₉H₃₃ClN₂O₂·HCl 분자량: 513.5 EC 번호: 252-082-4

등급 & 순도 Moligand™, ≥98%

Synonyms

Norepinephrine hydrochloride | SPECTRUM2300241 | Cardiazole | gamma-Picolinic acid | MFCD00058581 | Stomach Relief Anti Diarrheal | Anti-Diarrheal, Circle K | Kao-Paverin | LOPERAMIDE HYDROCHLORIDE [EP IMPURITY] | Loperamide Monohydrochloride | Anti-diarr

Storage

Room temperature

Shipped In

Normal

개요

Loperamide HCl is an opioid-receptor agonist with an ED50 of 0.15 mg/kg.
A Ca2+ channel protein inhibitor and MOR activator.

사양

동의어

Norepinephrine hydrochloride | SPECTRUM2300241 | Cardiazole | gamma-Picolinic acid | MFCD00058581 | Stomach Relief Anti Diarrheal | Anti-Diarrheal, Circle K | Kao-Paverin | LOPERAMIDE HYDROCHLORIDE [EP IMPURITY] | Loperamide Monohydrochloride | Anti-diarr

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Loperamide Hydrochloride is an opiate agonist with selectivity for the MOR (μ-opiod receptor). This specificity for μ-opioid receptors and limited penetrability into the brain prevent Loperamide from demonstrating central systemic effects generally associ

보관 조건

Room temperature

배송

Normal

등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Mu opioid receptor agonist

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

Pubchem Sid

488184655

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184655

정식 스마일

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

IUPAC Name

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride

InChIKey

PGYPOBZJRVSMDS-UHFFFAOYSA-N

INCHI

1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H

이성체 SMILES

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

WGK 독일

3

RTECS

TM4960000

분자량

513.5

Reaxy-Rn

4087090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4087090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpiperidines Phenylacetamides Aralkylamines Chlorobenzenes Aryl chlorides N-acyl amines Tertiary carboxylic acid amides Tertiary alcohols Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylpiperidine - Phenylacetamide - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - N-acyl-amine - Piperidine - Tertiary carboxylic acid amide - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: hydrochloride

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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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U2OS (164939 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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관련 대상(비인간)

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Abcb1a P-glycoprotein 3 (492 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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FTL Ferritin light chain (43324 Activities)

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nfo Endonuclease 4 (425 Activities)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in methanol, ethanol, DMSO, and chloroform.
• 감도: moisture sensitive
• 녹는점(°C): 223°C
• 분자량: 513.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 512.2 Da
• Monoisotopic Mass: 512.2 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 623.000
• 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: 2

XLogP3