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BMS-908662 , Serine/threonine-protein kinase RAF inhibitor, CAS No.870603-16-0, Serine/threonine-protein kinase RAF inhibitor

In stock
Item Number
B608141
Grouped product items
SKU Size
Availability
Price Qty
B608141-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
B608141-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Synonyms Q27075375 | DW2NWI3TFN | DB12854 | XL 281 [WHO-DD] | BMS-908662 free base | XL281 | XL-281 | (+/-)-Methyl (5-(2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-1H-benzimidazol-2-yl)carbamate | BMS908662 | BMS-908662 | 1029873-02-6
Specifications & Purity Moligand™
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Serine/threonine-protein kinase RAF inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzimidazoles
Subclass 2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes Not available
Direct Parent 2-benzimidazolylcarbamic acid esters
Alternative Parents Isoindolones  Isoindoles  Toluenes  Chlorobenzenes  Aryl chlorides  Tertiary carboxylic acid amides  Imidazoles  Heteroaromatic compounds  Carbamate esters  Lactams  Alkanolamines  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 2-benzimidazolylcarbamic acid ester - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Tertiary carboxylic acid amide - Carbamic acid ester - Heteroaromatic compound - Azole - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Alkanolamine - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors Not available

Product Properties

ALogP 3.9

Associated Targets(Human)

BRAF Tclin Serine/threonine-protein kinase B-raf (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SK-MEL19 (54 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name methyl N-[6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
INCHI InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)
InChIKey MMNNTJYFHUDSKL-UHFFFAOYSA-N
Smiles COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C
Isomeric SMILES CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)N=C(N5)NC(=O)OC)O
PubChem CID 56931136
Molecular Weight 462.9

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 462.900 g/mol
XLogP3 3.900
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 462.109 Da
Monoisotopic Mass 462.109 Da
Topological Polar Surface Area 108.000 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 771.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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