NVS-PAK1-1 - ≥98% , CAS No.1783816-74-9

CAS: 1783816-74-9 Cat. No.: N275945 Fórmula: C23H25ClF3N5O Peso molecular: 479.93 PubChem CID: 137125241
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
(S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
Alemanha (EU)*
Price
Qty
1mg
N275945-1mg
3 Em stock
—

52,90US$

79,90US$
Gravar 27,00 US$ (33.79%)
5mg
N275945-5mg
3 Em stock
—

172,90US$

259,90US$
Gravar 87,00 US$ (33.47%)
10mg
N275945-10mg
3 Em stock
—

223,90US$

335,90US$
Gravar 112,00 US$ (33.34%)
25mg
N275945-25mg
2 Em stock
—

311,90US$

467,90US$
Gravar 156,00 US$ (33.34%)
50mg
N275945-50mg
2 Em stock
—

437,90US$

656,90US$
Gravar 219,00 US$ (33.34%)
100mg
N275945-100mg
Sob encomenda · 8–12 semanas

653,90US$

980,90US$
Gravar 327,00 US$ (33.34%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% 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.

Visão geral

Shipped at room temperature. Store at -20°C.

Specifications

Sinónimos
(S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide
Especificações e pureza
≥98%
Mecanismos bioquímicos e fisiológicos
NVS-PAK1-1 is a potent allosteric inhibitor of p21-activated kinase PAK1. It\xa0has an\xa0IC 50 value of 5 nM for dephoshorylated PAK1 and 6 nM for phosphorylated PAK1 in an in vitro assay.NVS-PAK1-1 is a potent allosteric inhibitor of p21-activated kinas
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
Nota
Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Pureza
≥98%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504773481
Sorrisos canónicos
CC(C)NC(=O)N1CCC(C1)N=C2C3=C(C=CC(=C3)Cl)N(C4=C(N2)C=C(C=C4)F)CC(F)F
IUPAC Name
(3S)-3-[[8-chloro-11-(2,2-difluoroethyl)-3-fluoro-5H-benzo[b][1,4]benzodiazepin-6-ylidene]amino]-N-propan-2-ylpyrrolidine-1-carboxamide
InChIKey
OINGHOPGNMYCAB-INIZCTEOSA-N
INCHI
1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1
SMILES isoméricas
CC(C)NC(=O)N1CC[C@@H](C1)N=C2C3=C(C=CC(=C3)Cl)N(C4=C(N2)C=C(C=C4)F)CC(F)F
PubChem CID
137125241
Peso molecular
479.93

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
ClasseBenzodiazepines
SubclassDibenzodiazepines
Intermediate Tree Nodes Not available
Direct ParentDibenzodiazepines
Alternative Parents Alkyldiarylamines  1,4-benzodiazepines  Pyrrolidinecarboxamides  Aryl chlorides  Aryl fluorides  Imidolactams  Benzenoids  Ureas  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Carboxamidines  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  Alkyl fluorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzodiazepine - Alkyldiarylamine - 1,4-benzodiazepine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Tertiary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Pyrrolidine - Carbonic acid derivative - Urea - Tertiary amine - Amidine - Carboxylic acid amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Amine - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PAK2 Tchem Serine/threonine-protein kinase PAK 2 (1925 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ1B Tbio Tyrosine-protein kinase BAZ1B (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 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.

7 results found

Lot NumberCertificate TypeDataItem
A2212131Certificate of AnalysisJul 03, 2026 N275945
A2212136Certificate of AnalysisJul 03, 2026 N275945
A2212329Certificate of AnalysisJul 03, 2026 N275945
A2212330Certificate of AnalysisJul 03, 2026 N275945
A2212331Certificate of AnalysisJul 03, 2026 N275945
A2212332Certificate of AnalysisJul 03, 2026 N275945
C2625097Certificate of AnalysisApr 07, 2026 N275945
Propriedades químicas e físicas
SolubilidadeSoluble in ethanol to 100 mM and in DMSO to 100 mM
Peso molecular479.900 g/mol
XLogP34.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass479.17 Da
Monoisotopic Mass479.17 Da
Topological Polar Surface Area60.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity726.000
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

Avaliações dos Clientes

Perguntas frequentes

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1783816-74-9, the molecular formula is C23H25ClF3N5O, and the molecular weight is 479.93 g/mol. InChIKey OINGHOPGNMYCAB-INIZCTEOSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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