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Rineterkib

CAT: 1410-M26206-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M26206-05Size:50 mg
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Description
Rineterkib is an inhibitor of RAF and ERK1/2 activating mutations in the MAPK pathway.
CAS Number
1715025-32-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
578.434
Molecular Formula
C26H27BrF3N5O2
Notes
Research use only, not for human use.
Receptor
Β-adrenoceptor

Chemical Information

Rineterkib

Rineterkib is an inhibitor of extracellular signal-regulated kinase (ERK) being investigated in NCT04097821 (A Randomized, Open-label, Phase I/II Open Platform Study Evaluating Safety and Efficacy of Novel Ruxolitinib Combinations in Myelofibrosis Patients).

CAS Number1715025-32-3
PubChem CID118045847
IUPAC Name4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
Molecular FormulaC26H27BrF3N5O2
Molecular Weight578.4
XLogP3.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity757
SMILES
CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)F
InChI
InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1
InChIKey
YFCIFWOJYYFDQP-PTWZRHHISA-N
Chemical Structure
2D Structure
2D structure of Rineterkib
CAS: 1715025-32-3
CID: 118045847
Formula: C26H27BrF3N5O2
MW: 578.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.4
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass577.13002
Monoisotopic Mass577.13002
Topological Polar Surface Area113 Ų
Heavy Atom Count37
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5766608Rineterkib
GTR19191238Rineterkib hydrochloride
HY-114491A-01Rineterkib (hydrochloride)
A24133-5Rineterkib hydrochloride 5mg
462502Rineterkib free base
A24133-100Rineterkib hydrochloride 100mg
A24133-50Rineterkib hydrochloride 50mg
A24133-10Rineterkib hydrochloride 10mg
A19080-50Rineterkib (ERK-IN-1) 50mg
A19080-25Rineterkib (ERK-IN-1) 25mg

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