B 973B - ≥98%(HPLC) , CAS No.2244989-34-0

CAS: 2244989-34-0 Cat. No.: B288003 분자식: C24H26F2N6O 분자량: 452.5
주문 가능
GRADE & PURITY ≥98%(HPLC)
Synonyms
(-)-(S)-B 973B | 3,4-Difluoro-N-[(1S)-1-[6-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrazinyl]ethyl]benzenepropanamide
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
10mg
B288003-10mg
주문제작 · 8~12주
US$489.90
50mg
B288003-50mg
주문제작 · 8~12주
US$2,039.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

동의어
(-)-(S)-B 973B | 3,4-Difluoro-N-[(1S)-1-[6-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrazinyl]ethyl]benzenepropanamide
사양 및 순도
≥98%(HPLC)
생화학 및 생리적 메커니즘
Positive allosteric modulator of α7 nAChRs (EC50~0.3 μM); active enantiomer. Increases potency of acetylcholine (EC50values are 0.007 mM and 0.3 mM in the presence and absence of B 937B, respectively). Potentiates peak acetylcholine-induced currents 6-fol
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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작업 유형
AGONIST
순수함
≥98%(HPLC)
이름과 식별자
정식 스마일
CC(C1=CN=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)NC(=O)CCC4=CC(=C(C=C4)F)F
IUPAC Name
3-(3,4-difluorophenyl)-N-[(1S)-1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]ethyl]propanamide
InChIKey
WQYZERNSONBUCW-KRWDZBQOSA-N
INCHI
1S/C24H26F2N6O/c1-17(29-24(33)8-6-18-5-7-19(25)20(26)14-18)21-15-27-16-23(30-21)32-12-10-31(11-13-32)22-4-2-3-9-28-22/h2-5,7,9,14-17H,6,8,10-13H2,1H3,(H,29,33)/t17-/m0/s1
이성체 SMILES
C[C@@H](C1=CN=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)NC(=O)CCC4=CC(=C(C=C4)F)F
분자량
452.5
Reaxy-Rn
30837469
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30837469&ln=

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
SuperclassOrganoheterocyclic compounds
분류Diazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPyridinylpiperazines
Alternative Parents N-arylpiperazines  Dialkylarylamines  Methylpyridines  Fluorobenzenes  Aminopyridines and derivatives  Aminopyrazines  2-halopyridines  N-acyl amines  Imidolactams  Heteroaromatic compounds  Amino acids and derivatives  Carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-arylpiperazine - Pyridinylpiperazine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Methylpyridine - Halobenzene - Fluorobenzene - Aminopyridine - Aminopyrazine - Fatty acyl - Imidolactam - Benzenoid - Pyridine - Pyrazine - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 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
용해성Solvent:DMSO, Max Conc. mg/mL: 45.25, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 22.62, Max Conc. mM: 50
분자량452.500 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass452.214 Da
Monoisotopic Mass452.214 Da
Topological Polar Surface Area74.300 Ų
Heavy Atom Count33
Formal Charge0
Complexity620.000
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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