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Cobimetinib racemate - 99%, high purity , CAS No.934662-91-6

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Cobimetinib racemate - 99%, high purity , CAS No.934662-91-6

COA

Grade & Purity:

≥99%

Cas Number: 934662-91-6
Molecular Weight: 531.31
PubChem CID: 51038893

In stock

Item Number

C649329

Grouped product items
SKU	Size	Availability	Price
C649329-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
C649329-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90
C649329-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$360.90
C649329-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$960.90

View related series

MAPK/ERK Pathway (546) MEK (59)

Basic Description

Synonyms	GDC-0973 racemate; GDC0973 racemate; GDC 0973 racemate; Cobimetinib racemate;XL518 racemate;XL 518 racemate \| A922711 \| F84878 \| HY-13078 \| 1-[[3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]carbonyl]-3-(piperidin-2-yl)azetidin-3-ol \| MS-29825 \| Co
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Cobimetinib racemate (GDC-0973 racemate; XL518 racemate) is the racemate of Cobimetinib. Cobimetinib is a potent and selective MEK inhibitor .
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Cobimetinib racemate (GDC-0973 racemate; XL518 racemate) is the racemate of Cobimetinib. Cobimetinib is a potent and selective MEK inhibitor . Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Anthranilamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides
Direct Parent	Anthranilamides
Alternative Parents	2-aminobenzamides 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Iodobenzenes Fluorobenzenes Piperidines Aryl fluorides Aryl iodides Vinylogous amides Tertiary carboxylic acid amides Tertiary alcohols 1,2-aminoalcohols Amino acids and derivatives Azetidines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Organoiodides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-aminobenzamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Iodobenzene - Halobenzene - Fluorobenzene - Aryl fluoride - Piperidine - Aryl halide - Aryl iodide - Tertiary carboxylic acid amide - Tertiary alcohol - Vinylogous amide - 1,2-aminoalcohol - Amino acid or derivatives - Azetidine - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Carboxylic acid derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organoiodide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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	[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-(3-hydroxy-3-piperidin-2-ylazetidin-1-yl)methanone
INCHI	InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2
InChIKey	BSMCAPRUBJMWDF-UHFFFAOYSA-N
Smiles	C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
Isomeric SMILES	C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
Alternate CAS	934662-91-6
Molecular Weight	531.31
Reaxy-Rn	26026088
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26026088&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : ≥ 40 mg/mL (75.29 mM)
Molecular Weight	531.300 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	531.063 Da
Monoisotopic Mass	531.063 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	624.000
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

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