IACS-13909 - 10mM in DMSO , CAS No.2160546-07-4

CAS: 2160546-07-4 Cat. No.: I422600 Fórmula: C17H18Cl2N6 Peso molecular: 377.27
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
BBP-3984-​Piperidinamine,1-​[3-​(2,​3-​dichlorophenyl)​-​1H-​pyrazolo[3,​4-​b]​pyrazin-​6-​yl]​-​4-​methyl-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Alemanha (EU)
USA*
Price
Qty
1ml
I422600-1ml
—
2 Em stock

143,09€

209,91€
Gravar 66,82 € (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Visão geral

Information

IACS-13909 IACS-13909 (BBP-398) is a specific and potent allosteric inhibitor of SHP2 (Src homology 2 domain-containing phosphatase) that suppresses signaling through the MAPK pathway.

Targets

SHP2

In vitro

IACS-13909 is a specific and potent allosteric inhibitor of SHP2 that suppresses signaling through the MAPK pathway. IACS-13909 potently impedes proliferation of tumors harboring a broad spectrum of activated RTKs as the oncogenic driver. IACS-13909 potently suppresses tumor cell proliferation in vitro.

In vivo

In EGFR-mutant osimertinib-resistant NSCLC models with EGFR-dependent and EGFR-independent resistance mechanisms, IACS-13909, administered as a single agent or in combination with osimertinib, causes tumor regression in vivo.

Cell Research(from reference)

Cell lines:KYSE-520 cells 

Concentrations:0-10000 nM 

Incubation Time:2 h 

Specifications

Sinónimos
BBP-3984-​Piperidinamine,1-​[3-​(2,​3-​dichlorophenyl)​-​1H-​pyrazolo[3,​4-​b]​pyrazin-​6-​yl]​-​4-​methyl-
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
IACS-13909 (BBP-398) is a specific and potent allosteric inhibitor of SHP2 (Src homology 2 domain-containing phosphatase) that suppresses signaling through the MAPK pathway.
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
INHIBITOR
Propriedades do produto
ALogP
3.125
hba_count
3
Contagem HBD
2
Ligação rotativa
2
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CC1(CCN(CC1)C2=NC3=NNC(=C3N=C2)C4=C(C(=CC=C4)Cl)Cl)N
IUPAC Name
1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
InChIKey
AMADCPJVPLUGQO-UHFFFAOYSA-N
INCHI
1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)
SMILES isoméricas
CC1(CCN(CC1)C2=NC3=NNC(=C3N=C2)C4=C(C(=CC=C4)Cl)Cl)N
Peso molecular
377.27
Reaxy-Rn
43015349
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43015349&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
ClasseAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Pyrazolo[3,4-b]pyrazines  Dichlorobenzenes  Dialkylarylamines  Aminopyrazines  Aminopiperidines  Imidolactams  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Pyrazolo[3,4-b]pyrazine - Dialkylarylamine - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aminopyrazine - 4-aminopiperidine - Imidolactam - Benzenoid - Pyrazine - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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
PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 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:
Propriedades químicas e físicas
DMSO (mg/mL) Solubilidade máxima75
DMSO (mM) Solubilidade máxima198.796617806876
Água (mg/mL) Solubilidade máxima<1
Peso molecular377.300 g/mol
XLogP33.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.097 Da
Monoisotopic Mass376.097 Da
Topological Polar Surface Area83.700 Ų
Heavy Atom Count25
Formal Charge0
Complexity472.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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

Avaliações dos Clientes

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