B-Raf IN 1 - 10mM in DMSO , CAS No.950736-05-7

CAS: 950736-05-7 Cat. No.: B427058 Formula: C29H24F3N5O Peso molecolare: 515.53
Disponibile su ordine
GRADE & PURITY 10mM in DMSO
Synonyms
Benzamide,N-​[3-​[3-​[4-​[(dimethylamino)​methyl]​phenyl]​pyrazolo[1,​5-​a]​pyrimidin-​7-​yl]​phenyl]​-​3-​(trifluoromethyl)​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Germania (EU)
USA*
Price
Qty
1ml
B427058-1ml
—
2 Disponibile

143,09€

209,91€
Salva 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.

Panoramica

Information

B-Raf IN 1 is an inhibitor ofRafwih IC50 values of 24 nM and 25 nM for B-Raf and C-Raf respectively. It is selective over 13 other kinases, including PKCα, IKKβ, and PI3Kα.

Targets

B-Raf ; C-Raf 24 nM; 25 nM

Specifications

Sinonimi
Benzamide,N-​[3-​[3-​[4-​[(dimethylamino)​methyl]​phenyl]​pyrazolo[1,​5-​a]​pyrimidin-​7-​yl]​phenyl]​-​3-​(trifluoromethyl)​-
Specifiche e purezza
10mM in DMSO
Meccanismi biochimici e fisiologici
B-Raf IN 1 is an inhibitor of Raf wih IC50 values of 24 nM and 25 nM for B-Raf and C-Raf respectively. It is selective over 13 other kinases, including PKCα, IKKβ, and PI3Kα.
Condizioni di conservazione di stoccaggio
Store at -80°C
Spedito in
Dry ice packs + Cold packs
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Tipo di azione
INHIBITOR
Proprietà del prodotto
ALogP
5.368
hba_count
3
Conteggio HBD
1
Legame rotabile
7
Nomi e identificatori
Pubchem Sid
Sorrisi canonici
CN(C)CC1=CC=C(C=C1)C2=C3N=CC=C(N3N=C2)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F
IUPAC Name
N-[3-[3-[4-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
InChIKey
AIWJVLQNYNCDSL-UHFFFAOYSA-N
INCHI
1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)
Isomeri SMILES
CN(C)CC1=CC=C(C=C1)C2=C3N=CC=C(N3N=C2)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F
Peso molecolare
515.53
Reaxy-Rn
15532965
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15532965&ln=

Documentazione

📋 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
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
Alternative Parents Phenylpyrimidines  Phenylpyrazoles  Trifluoromethylbenzenes  Benzamides  Pyrazolo[1,5-a]pyrimidines  Phenylmethylamines  Benzylamines  Benzoyl derivatives  Aralkylamines  Heteroaromatic compounds  Trialkylamines  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzanilide - 4-phenylpyrimidine - Phenylpyrazole - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Benzamide - Benzoic acid or derivatives - Pyrazolopyrimidine - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Pyrimidine - Pyrazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Alkyl fluoride - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
RAF1 Tclin RAF proto-oncogene serine/threonine-protein kinase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BRAF Tclin Serine/threonine-protein kinase B-raf (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP2K6 Tchem Dual specificity mitogen-activated protein kinase kinase 6 (1284 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAF1 Tclin Serine/threonine-protein kinase RAF (4169 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCA Tchem Protein kinase C alpha (5923 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPS6KB1 Tchem Ribosomal protein S6 kinase 1 (4456 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Cdk4 Cyclin-dependent kinase 4 (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
DMSO (mg/mL) Solubilità massima100
DMSO (mM) Solubilità massima193.975132388028
Acqua (mg/mL) Solubilità massima<1
Peso molecolare515.500 g/mol
XLogP35.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass515.193 Da
Monoisotopic Mass515.193 Da
Topological Polar Surface Area62.500 Ų
Heavy Atom Count38
Formal Charge0
Complexity787.000
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
Domande frequenti e articoli
Calcolatori di soluzioni
Recensioni

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