Belvarafenib 25mg

CAT: 0628-A13177-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A13177-25Size:25 mg

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CAS Number

1446113-23-0

Chemical Information

Belvarafenib

Belvarafenib is an orally available inhibitor of members of the Raf family of serine/threonine protein kinases, with potential antineoplastic activity. Upon administration, belvarafenib binds to and inhibits the B-Raf mutant V600E and C-Raf. This inhibits B-Raf V600E- and C-Raf-mediated signal transduction pathways, thereby inhibiting tumor cell growth of susceptible tumor cells. In addition, belvarafenib may also inhibit mutated Ras proteins. Raf protein kinases play a key role in the Raf/mitogen-activated protein kinase kinase (MEK)/extracellular signal-related kinase (ERK) signaling pathway, which is often dysregulated in human cancers and plays a key role in tumor cell proliferation and survival. The Raf mutation B-Raf V600E, where the valine at residue 600 is substituted for glutamic acid, is frequently overexpressed in a variety of human tumors and results in the constitutive activation of the Raf/MEK/ERK signaling pathway.

CAS Number	1446113-23-0
PubChem CID	89655386
IUPAC Name	4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
Molecular Formula	C23H16ClFN6OS
Molecular Weight	478.9
XLogP	4.9
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	708

SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N

InChI

InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)

InChIKey

KVCQTKNUUQOELD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446113-23-0

CID: 89655386

Formula: C23H16ClFN6OS

MW: 478.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	478.9
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	478.0778862
Monoisotopic Mass	478.0778862
Topological Polar Surface Area	134 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	708
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Belvarafenib 25mg

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