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Ro4987655

CAS No.:
874101-00-5
Catalog Number:
AG00GU64
Molecular Formula:
C20H19F3IN3O5
Molecular Weight:
565.2816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$230
- +
2mg
99%
1 week
United States
$340
- +
5mg
99%
1 week
United States
$507
- +
10mg
99%
1 week
United States
$835
- +
25mg
≥98%
1 week
United States
$1793
- +
50mg
99%
1 week
United States
$3157
- +
Product Description
Catalog Number:
AG00GU64
Chemical Name:
Ro4987655
CAS Number:
874101-00-5
Molecular Formula:
C20H19F3IN3O5
Molecular Weight:
565.2816
MDL Number:
MFCD19443685
IUPAC Name:
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide
InChI:
InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
InChI Key:
FIMYFEGKMOCQKT-UHFFFAOYSA-N
SMILES:
OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F
UNII:
I3733P75ML
Properties
Complexity:
652  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.032g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
565.288g/mol
Monoisotopic Mass:
565.032g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Phase I and pharmacokinetics/pharmacodynamics study of the MEK inhibitor RO4987655 in Japanese patients with advanced solid tumors. Investigational new drugs 20150601
Phase I expansion and pharmacodynamic study of the oral MEK inhibitor RO4987655 (CH4987655) in selected patients with advanced cancer with RAS-RAF mutations. Clinical cancer research : an official journal of the American Association for Cancer Research 20140815
MEK and the inhibitors: from bench to bedside. Journal of hematology & oncology 20130101
Phase I dose-escalation study of the safety, pharmacokinetics, and pharmacodynamics of the MEK inhibitor RO4987655 (CH4987655) in patients with advanced solid tumors. Clinical cancer research : an official journal of the American Association for Cancer Research 20120901
Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorganic & medicinal chemistry letters 20110315
Hypertension in pregnancy: an invitational symposium. The Journal of reproductive medicine 19751101
Properties