BMS-378806 - ≥99% , CAS No.357263-13-9

CAS: 357263-13-9 Cat. No.: B125482 Fórmula: C22H22N4O4 Peso molecular: 406.43
Disponível para encomenda
GRADE & PURITY ≥99%
Synonyms
EINECS 218-582-1 | Piperazine, 4-benzoyl-1-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dioxoethyl]-2-methyl-, (2R)- | Acetanilide,6'-dimethyl- | HY-14134 | 4-benzoyl-1-((4-methoxy-1H- pyrrolo(2,3-b)pyridin-3-yl)oxoacetyl)-2- (R)-methylpiperazine | Bm
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Alemanha (EU)
USA*
Price
Qty
1mg
B125482-1mg
—
5 Em stock
92,76€
5mg
B125482-5mg
—
4 Em stock
204,70€
10mg
B125482-10mg
—
3 Em stock
392,13€
50mg
B125482-50mg
—
2 Em stock
950,09€
100mg
B125482-100mg
—
1 Em stock
1266,81€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% 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

Sinónimos
EINECS 218-582-1 | Piperazine, 4-benzoyl-1-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dioxoethyl]-2-methyl-, (2R)- | Acetanilide,6'-dimethyl- | HY-14134 | 4-benzoyl-1-((4-methoxy-1H- pyrrolo(2,3-b)pyridin-3-yl)oxoacetyl)-2- (R)-methylpiperazine | Bm
Especificações e pureza
≥99%
Mecanismos bioquímicos e fisiológicos

BMS-806 (BMS 378806) is a small molecule gp120/CD4 inhibitor with an IC50 of median 5 nM. BMS-806 (BMS 378806) was proved to be specific for HIV-1, with no activity against HIV-2 or simian immunodeficiency virus. BMS-806 (BMS 378806) is a

Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
INHIBITOR
Pureza
≥99%
Nomes e identificadores
Pubchem Sid488195586
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195586
Sorrisos canónicosCC1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
InChIKeyOKGPFTLYBPQBIX-CQSZACIVSA-N
INCHI1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1
SMILES isoméricas C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4
Peso molecular 406.43
Reaxy-Rn 26260116
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26260116&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
ClassePyrrolopyridines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrrolopyridines
Alternative Parents Benzamides  Benzoyl derivatives  Aryl ketones  Alkyl aryl ethers  Substituted pyrroles  Pyridines and derivatives  Piperazines  Vinylogous amides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzamide - Benzoic acid or derivatives - Pyrrolopyridine - Benzoyl - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Ketone - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MT2 (2907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
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
Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus (3636 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
env Envelope glycoprotein gp160 (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

11 results found

Lot NumberCertificate TypeDataItem
E2627115Certificate of AnalysisJun 05, 2026 B125482
D2317183Certificate of AnalysisFeb 06, 2025 B125482
D2317187Certificate of AnalysisFeb 06, 2025 B125482
D2317193Certificate of AnalysisFeb 06, 2025 B125482
D2315490Certificate of AnalysisJan 09, 2025 B125482
D2315501Certificate of AnalysisJan 09, 2025 B125482
D2315502Certificate of AnalysisJan 09, 2025 B125482
D2315504Certificate of AnalysisJan 09, 2025 B125482
D2315505Certificate of AnalysisJan 09, 2025 B125482
D2315506Certificate of AnalysisJan 09, 2025 B125482
D2315507Certificate of AnalysisJan 09, 2025 B125482

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Propriedades químicas e físicas
SolubilidadeDMSO 81 mg/mL Water <1 mg/mL Ethanol 3 mg/mL
Peso molecular406.400 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass406.164 Da
Monoisotopic Mass406.164 Da
Topological Polar Surface Area95.600 Ų
Heavy Atom Count30
Formal Charge0
Complexity666.000
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
Calculadoras de soluções
Revisões

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