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Ulixertinib (hydrochloride)

CAT: 0804-HY-15816A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15816A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of [1][2].
CAS Number
1956366-10-1
Product Name Alternative
BVD-523 (hydrochloride) ; VRT752271 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ERK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ulixertinib-hydrochloride.html
Purity
99.89
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL
Smiles
O=C(C1=CC(C2=CC(NC(C)C)=NC=C2Cl)=CN1)N[C@@H](C3=CC=CC(Cl)=C3)CO.[H]Cl
Molecular Formula
C21H23Cl3N4O2
Molecular Weight
469.79
Precautions
H302, H315, H319, H335
References & Citations
[1]Changwen Ning, et al. Targeting ERK Enhances the Cytotoxic Effect of the Novel PI3K and mTOR Dual Inhibitor VS-5584 in Preclinical Models of Pancreatic Cancer. Oncotarget. 2017 Jul 4;8 (27) :44295-44311.|[2]Ward RA, et al. Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of ERK1/2. J Med Chem. 2015 Jun 11;58 (11) :4790-801.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Citation 01
Cancer Res. 2024 Jun 14;84 (12) :1963-1977.|ACS Comb Sci. 2019 Dec 9;21 (12) :805-816.|Adv Sci (Weinh) . 2022 Oct;9 (30) :e2200717.|Adv Sci (Weinh) . 2024 Nov 20:e2407662.|Biomed Chromatogr. 2020 Oct;34 (10) :e4923.|bioRxiv. 2025 Mar 28:2025.03.25.645097.|Cancer Biol Ther. 2022 Dec 31;23 (1) :69-82.|Cancer Lett. 2024 Nov 26:217339.|Cancer. 2020 Mar 15;126 (6) :1339-1350.|Cancers (Basel) . 2022 Feb 14;14 (4) :954.|Cancers (Basel) . 2022 Mar 19;14 (6) :1575.|Cell Death Differ. 2024 Jun;31 (6) :804-819.|Cell Death Discov. 2022 Aug 17;8 (1) :365.|Cell Rep Med. 2025 Feb 6:101970.|Cell Rep. 2021 Dec 28;37 (13) :110174.|Dev Cell. 2020 Sep 14;54 (5) :608-623.e5.|Front Cell Dev Biol. 2018 Sep 25:6:111.|Innate Immun. 2020 Aug;26 (6) :505-513.|J Gastroenterol. 2024 Apr 29.|J Invest Dermatol. 2021 Apr;141 (4) :852-862.e6.|J Transl Med. 2025 Feb 28;23 (1) :244.|Life Sci. 2025 May 15:369:123553.|Matrix Biol. 2022 Sep:112:20-38.|Mol Cell Endocrinol. 2024 Mar 1:582:112140.|Nat Commun. 2022 Jul 14;13 (1) :4078.|Nat Commun. 2023 May 19;14 (1) :2859.|Nat Commun. 2023 Nov 2;14 (1) :6997.|Neoplasia. 2024 Dec 4:59:101085.|Pharmacol Res. 2023 Nov:197:106955.|Platelets. 2024 Dec;35 (1) :2354833.|Ren Fail. 2025 Dec;47 (1) :2580064.|Research Square Preprint. 2024 Nov 26.|Research Square Print. 2023 Feb 22.|Sci Adv. 2023 Nov 15;9 (46) :eadi5921.|Sci Data. 2024 Sep 19;11 (1) :1024.|Sci Rep. 2025 Jul 1;15 (1) :21328.|Sci Transl Med. 2021 Jan 27;13 (578) :eaba7308.|Theranostics. 2022 Oct 3;12 (16) :7051-7066.|Ulm University. Molecular Medicine Ulm. 2021 Mar.

Chemical Information

Ulixertinib hydrochloride
CAS Number1956366-10-1
PubChem CID71584481
IUPAC NameN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;hydrochloride
Molecular FormulaC21H23Cl3N4O2
Molecular Weight469.8
Topological Polar Surface Area90
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
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.Cl
InChI
InChI=1S/C21H22Cl2N4O2.ClH/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);1H/t19-;/m1./s1
InChIKey
DKGYQCPFBWFTHM-FSRHSHDFSA-N
Chemical Structure
2D Structure
2D structure of Ulixertinib hydrochloride
CAS: 1956366-10-1
CID: 71584481
Formula: C21H23Cl3N4O2
MW: 469.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass468.088659
Monoisotopic Mass468.088659
Topological Polar Surface Area90 Ų
Heavy Atom Count30
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 Count2
Compound Is CanonicalizedYes

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