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Ulixertinib

CAT: 0013-GTR19160210-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160210-05Size:25 mg
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Description
Ulixertinib (BVD-523, VRT752271) is an effective and reversible ERK1/ERK2 inhibitor. The IC50 of Ulixertinib is less than 0.3 nM for ERK2.
CAS Number
869886-67-9
Product Name Alternative
BVD-523 | VRT752271
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 45 mg/mL; 103.85 mM
Smiles
[nH]1c (cc (c1) c1cc (ncc1Cl) NC (C) C) C (=O) N[C@H] (CO) c1cc (ccc1) Cl
Molecular Formula
C21H22Cl2N4O2
Molecular Weight
433.33
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ulixertinib

Ulixertinib is a a novel, reversible, ATP-competitive ERK1/2 inhibitor with high potency and ERK1/2 selectivity. It is currently in clinical trials for the treatment of a wide range of tumors.

CAS Number869886-67-9
PubChem CID11719003
IUPAC NameN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.3
XLogP4.1
Topological Polar Surface Area90
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity539
SMILES
CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl
InChI
InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
InChIKey
KSERXGMCDHOLSS-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Ulixertinib
CAS: 869886-67-9
CID: 11719003
Formula: C21H22Cl2N4O2
MW: 433.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.3
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass432.1119813
Monoisotopic Mass432.1119813
Topological Polar Surface Area90 Ų
Heavy Atom Count29
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-507296Ulixertinib
HY-15816R-01Ulixertinib (Standard)
206798Ulixertinib HCl
TRC-U700835-100MGUlixertinib Hydrochloride
C3921-25Ulixertinib (hydrochloride)
C13002-25mgUlixertinib (BVD-523)

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