Ravoxertinib (GDC-0994)

CAT: 0957-S7554-01Size: 5 mgDry Ice: YesHazardous: No

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CAT#:0957-S7554-01Size:5 mg

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Description

Ravoxertinib (GDC-0994) is a potent, orally available and highly selective ERK1/2 inhibitor with IC50 of 1.1 nM and 0.3 nM, respectively. Phase 1.

CAS Number

1453848-26-4

Target

ERK

Activity

MAPK

Molecular Formula

C21H18ClFN6O2

Storage Conditions

2 years -80 in solvent

Chemical Information

Ravoxertinib

Ravoxertinib is under investigation in clinical trial NCT01875705 (A Dose-Escalation Study of GDC-0994 in Patients With Locally Advanced or Metastatic Solid Tumors).

CAS Number	1453848-26-4
PubChem CID	71727581
IUPAC Name	1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
Molecular Formula	C21H18ClFN6O2
Molecular Weight	440.9
XLogP	2
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	709

SMILES

CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1

InChIKey

RZUOCXOYPYGSKL-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 1453848-26-4

CID: 71727581

Formula: C21H18ClFN6O2

MW: 440.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	440.9
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	440.1163797
Monoisotopic Mass	440.1163797
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	709
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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S1104-10mM/1mL	GDC-0879
S1104-2mg	GDC-0879
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Alternative Products

Catalog	Name
C12776-01	Ravoxertinib (GDC-0994)
BISN0188	GDC-0994
BISN0287-01	GDC-0994 hydrochloride
MBS131193-01	GDC-0994 HCl
HY-15947-01	Ravoxertinib
HY-15947A-01	Ravoxertinib hydrochloride
A13420-100	GDC0994 (Ravoxertinib) 100mg

Ravoxertinib (GDC-0994)

Chemical Information

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