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· · COA & SDS available for every product · Same-day shipping on in-stock items NVS-PAK1-1 - ≥98% , CAS No.1783816-74-9
Synonyms
(S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide
Shipped In
Ice chest + Ice pads
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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.
Overview Shipped at room temperature. Store at -20°C.
Specifications Synonyms
(S)-3-(2-Chloro-5-(2, 2-difluoroethyl)-8-fluoro-5H-dibenzo[b, e][1, 4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
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
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
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.
Names and Identifiers Pubchem Sid 504773481 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504773481 Canonical Smiles 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 Isomeric SMILES 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 Molecular Weight 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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzodiazepines Subclass Dibenzodiazepines Intermediate Tree Nodes Not available Direct Parent Dibenzodiazepines 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 Framework Aromatic 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 Description This 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in ethanol to 100 mM and in DMSO to 100 mM Molecular Weight 479.900 g/mol XLogP3 4.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 479.17 Da Monoisotopic Mass 479.17 Da Topological Polar Surface Area 60.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 726.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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