Cobimetinib (GDC-0973)

CAT: 0957-S8041-100mgSize: 100 mgDry Ice: YesHazardous: No

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CAT#:0957-S8041-100mgSize:100 mg

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CAS Number

934660-93-2

Synonyms

RG7420, XL518

Target

MEK

Applications

Protein Tyrosine Kinase

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

Molecular Formula

C21H21F3IN3O2

Additionnal Information

Cobimetinib (GDC-0973, RG7420) is a potent and highly selective MEK1 inhibitor with IC50 of 4.2 nM, and showing no significant inhibition when tested against a panel of more than 100 of serine-threonine and tyrosine kinases. Cobimetinib induces apoptosis. Phase 3.

Storage Conditions

2 years -80 in solvent

Chemical Information

Cobimetinib

Cobimetinib is a member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. It has a role as an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of piperidines, a tertiary alcohol, an aromatic amine, an organoiodine compound, a difluorobenzene, a N-acylazetidine and a secondary amino compound. It is a conjugate base of a cobimetinib(1+).

CAS Number	934660-93-2
PubChem CID	16222096
IUPAC Name	[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
Molecular Formula	C21H21F3IN3O2
Molecular Weight	531.3
XLogP	3.9
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	624

SMILES

C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O

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/t17-/m0/s1

InChIKey

BSMCAPRUBJMWDF-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 934660-93-2

CID: 16222096

Formula: C21H21F3IN3O2

MW: 531.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	531.3
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	531.06306
Monoisotopic Mass	531.06306
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	624
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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S7553-5mg	GDC-0623
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S1104-25mg	GDC-0879
S1104-1g	GDC-0879
S1104-10mM/1mL	GDC-0879
S1104-2mg	GDC-0879
S7553-25mg	GDC-0623

Alternative Products

Catalog	Name
C13147-5mg	Cobimetinib (GDC-0973)
MBS386426-01	GDC-0973 (Cobimetinib)
A11441-50	GDC-0973 (Cobimetinib) 50mg
A11441-100	GDC-0973 (Cobimetinib) 100mg
A11441-2	GDC-0973 (Cobimetinib) 2mg
A11441-1	GDC-0973 (Cobimetinib) 1mg
A11441-10mM-D	GDC-0973 (Cobimetinib) 10mM * 1mL in DMSO
A11441-10	GDC-0973 10mg
A11441-5	GDC-0973 5mg
A11441-25	GDC-0973 25mg

Cobimetinib (GDC-0973)

Chemical Information

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