BRD0705 - ≥98% , CAS No.2056261-41-5

CAS: 2056261-41-5 Cat. No.: B414436 분자식: C2OH23N3O 분자량: 321.42
주문 가능
GRADE & PURITY ≥98%
Synonyms
5H-​Pyrazolo[3,​4-​b]​quinolin-​5-​one,4-​ethyl-​1,​2,​4,​6,​7,​8-​hexahydro-​7,​7-​dimethyl-​4-​phenyl-​,(4S)​-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
1mg
B414436-1mg
2 재고 있음
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US$379.90
5mg
B414436-5mg
2 재고 있음
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US$899.90
10mg
B414436-10mg
1 재고 있음
—
US$1,279.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

개요

GSK3α (Cell-free assay); GSK3β (Cell-free assay); GSK3α (Cell-free assay) 66 nM; 515 nM(Kd); 4.8 μM(Kd)

In vitro

BRD0705 inhibits kinase function and does not stabilize β-catenin, mitigating potential neoplastic concerns. BRD0705 induces myeloid differentiation and impairs colony formation in AML cells while no effect is observed on normal hematopoietic cells.

BRD0705 impairs leukemia initiation and prolongs survival in AML mouse models.

Cell Research(from reference)

Cell lines:HEK 293T, HL-60, U937, TF-1, NB-4, MV4–11, MOLM-13, Mononuclear cells 

Concentrations:20 μM 

Incubation Time:24 hours 

Specifications

동의어
5H-​Pyrazolo[3,​4-​b]​quinolin-​5-​one,4-​ethyl-​1,​2,​4,​6,​7,​8-​hexahydro-​7,​7-​dimethyl-​4-​phenyl-​,(4S)​-
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
BRD0705 is a potent, paralog selective and orally active inhibitor of GSK3α (Glycogen synthase kinase 3α) with IC50 of 66 nM and Kd of 4.8 μM. BRD0705 also inhibits GSK3β with IC50 of 515 nM. BRD0705 can be used for acute myeloid leukemia (AML).
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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작업 유형
INHIBITOR
순수함
≥98%
이름과 식별자
Pubchem Sid
정식 스마일
CCC1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4
IUPAC Name
(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
InChIKey
NCKLQXXBRWCYMA-FQEVSTJZSA-N
INCHI
1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1
이성체 SMILES
CC[C@@]1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4
분자량
321.42
Reaxy-Rn
41305459
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41305459&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
분류Quinolines and derivatives
SubclassPhenylquinolines
Intermediate Tree Nodes Not available
Direct ParentPhenylquinolines
Alternative Parents Secondary alkylarylamines  Cyclohexenones  Imidolactams  Benzene and substituted derivatives  Vinylogous amides  Pyrazoles  Heteroaromatic compounds  Enamines  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylquinoline - Cyclohexenone - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Ketone - Azacycle - Secondary amine - Enamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 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:

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

6 results found

Lot NumberCertificate Type날짜항목
C2414309Certificate of AnalysisDec 10, 2025 B414436
C2414310Certificate of AnalysisDec 10, 2025 B414436
C2414311Certificate of AnalysisDec 10, 2025 B414436
C2414312Certificate of AnalysisDec 10, 2025 B414436
C2414330Certificate of AnalysisDec 10, 2025 B414436
C2414331Certificate of AnalysisDec 10, 2025 B414436
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 64 mg/mL (199.11 mM); Ethanol: 64 mg/mL (199.11 mM); Water: Insoluble;
분자량321.400 g/mol
XLogP34.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass321.184 Da
Monoisotopic Mass321.184 Da
Topological Polar Surface Area57.800 Ų
Heavy Atom Count24
Formal Charge0
Complexity561.000
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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