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R1487 Hydrochloride

CAT: 0127-BISN0265Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BISN0265Size:100 mg
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CAS Number
449808-64-4
MDL Number
MFCD18711690
Purity
98%
Smiles
Cl.CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccc(F)cc4F
Notes
MAPK/ERK Signalling Pathway

Chemical Information

6-(2,4-Difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one hydrochloride

R-1487 hydrochloride is an organic molecular entity. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor.

CAS Number449808-64-4
PubChem CID54580957
IUPAC Name6-(2,4-difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
Molecular FormulaC19H19ClF2N4O3
Molecular Weight424.8
Topological Polar Surface Area76.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity602
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4.Cl
InChI
InChI=1S/C19H18F2N4O3.ClH/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21;/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24);1H
InChIKey
RQHSAIGGUWVOBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-Difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one hydrochloride
CAS: 449808-64-4
CID: 54580957
Formula: C19H19ClF2N4O3
MW: 424.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass424.1113745
Monoisotopic Mass424.1113745
Topological Polar Surface Area76.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS3610665-01R1487 (Hydrochloride)
T7162-01R1487 Hydrochloride
A21231-25R1487 Hydrochloride 25mg
A21231-5R1487 Hydrochloride 5mg
A21231-50R1487 Hydrochloride 50mg
A21231-2R1487 Hydrochloride 2mg
A21231-100R1487 Hydrochloride 100mg
A21231-10R1487 Hydrochloride 10mg
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