YM-022 - Moligand™ , Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor, CAS No.Y614918, Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

CAS: Y614918 Cat. No.: Y614918 PubChem CID: 122130
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
DTXSID40932492 | SCHEMBL2870373 | r-1-(2,3-dihydro-1-(2-methylphenacyl)-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl)-3(3-methylphenyl)urea | HY-103355 | Q27089258 | AKOS027378207 | YCXFHPUBGMMWJQ-PMERELPUSA-N | (R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOE
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
5mg
Y614918-5mg
주문제작 · 8~12주

US$1,142.90

US$1,334.90
저장 US$192.00 (14.38%)
25mg
Y614918-25mg
주문제작 · 8~12주

US$1,714.90

US$2,001.90
저장 US$287.00 (14.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
DTXSID40932492 | SCHEMBL2870373 | r-1-(2,3-dihydro-1-(2-methylphenacyl)-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl)-3(3-methylphenyl)urea | HY-103355 | Q27089258 | AKOS027378207 | YCXFHPUBGMMWJQ-PMERELPUSA-N | (R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOE
사양 및 순도
Moligand™
보관 조건
Room temperature
등급
Moligand™
작업 유형
ANTAGONIST
작동 메커니즘
Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor
이름과 식별자
정식 스마일Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2
IUPAC Name3-(3-methylphenyl)-1-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
InChIKeyYCXFHPUBGMMWJQ-PMERELPUSA-N
INCHI1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
이성체 SMILES CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5C
PubChem CID 122130

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
분류Organooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents 1,4-benzodiazepines  N-phenylureas  Alpha amino acids and derivatives  Benzoyl derivatives  Aryl alkyl ketones  Toluenes  Tertiary carboxylic acid amides  Ureas  Lactams  Ketimines  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alkyl-phenylketone - Benzodiazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Benzoyl - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Carbonic acid derivative - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Hydrocarbon derivative - Imine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CCKAR Tclin Cholecystokinin receptor type A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCKBR Tclin Gastrin/cholecystokinin type B receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKBR Tclin Cholecystokinin B receptor (3550 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKBR Tclin Cholecystokinin receptor (506 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량516.600 g/mol
XLogP35.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass516.216 Da
Monoisotopic Mass516.216 Da
Topological Polar Surface Area90.900 Ų
Heavy Atom Count39
Formal Charge0
Complexity913.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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리뷰

고객 리뷰

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