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Uplarafenib

CAT: 0804-HY-148059-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-148059-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Uplarafenib (B-Raf IN 10) (Compound C09) is a BRAF inhibitor with an IC50 between 50 and 100 nM. Uplarafenib shows antitumor activity[1].
CAS Number
1425485-87-5
Product Name Alternative
B-Raf IN 10
UNSPSC
12352005
Target
Raf
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/uplarafenib.html
Purity
99.63
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=C(F)C(NS(=O)(CCC)=O)=CC(F)=C1F)C2=CC=C3N=CC(N4CCOCC4)=NC3=C2
Molecular Formula
C22H21F3N4O4S
Molecular Weight
494.49
References & Citations
[1]Yong-Liang Zhu, et al. Certain Chemical Entities, Compositions, and Methods. Patent US20130053384 A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
B-Raf

Chemical Information

Uplarafenib

Uplarafenib is a small molecule drug. The usage of the INN stem '-rafenib' in the name indicates that Uplarafenib is a Raf (rapidly accelerated fibrosarcoma) kinase inhibitor. Uplarafenib has a monoisotopic molecular weight of 494.12 Da.

CAS Number1425485-87-5
PubChem CID71506198
IUPAC NameN-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.5
XLogP2.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity810
SMILES
CCCS(=O)(=O)NC1=CC(=C(C(=C1F)C(=O)C2=CC3=NC(=CN=C3C=C2)N4CCOCC4)F)F
InChI
InChI=1S/C22H21F3N4O4S/c1-2-9-34(31,32)28-17-11-14(23)20(24)19(21(17)25)22(30)13-3-4-15-16(10-13)27-18(12-26-15)29-5-7-33-8-6-29/h3-4,10-12,28H,2,5-9H2,1H3
InChIKey
HAYBWDINAFTFCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Uplarafenib
CAS: 1425485-87-5
CID: 71506198
Formula: C22H21F3N4O4S
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass494.12356082
Monoisotopic Mass494.12356082
Topological Polar Surface Area110 Ų
Heavy Atom Count34
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BUP09199-01Uplarafenib

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