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Brimarafenib

CAT: 0127-BUP21182-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21182-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1643326-82-2
Synonyms
BGB 245 | BGB-3245 | Brimarafenibum | BGB3245 | BGB245
Purity
=98%
Smiles
N(C(NC1=C(F)C=C(F)C(F)=C1)=O)[C@H]2[C@]3([C@@]2(OC=4C3=CC(OC5=C6C(NC=C5)=NC(=O)CC6)=CC4)[H])[H]

Chemical Information

Brimarafenib

Brimarafenib is a small molecule drug. The usage of the INN stem '-rafenib' in the name indicates that Brimarafenib is a Raf (rapidly accelerated fibrosarcoma) kinase inhibitor. Brimarafenib is under investigation in clinical trial NCT04249843 (Study of Safety, Pharmacokinetics, and Antitumor Activity of BGB-3245 in Participants with Advanced or Refractory Tumors). Brimarafenib has a monoisotopic molecular weight of 482.12 Da.

CAS Number1643326-82-2
PubChem CID117807031
IUPAC Name1-[(1S,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)urea
Molecular FormulaC24H17F3N4O4
Molecular Weight482.4
XLogP2.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity839
SMILES
C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5NC(=O)NC6=CC(=C(C=C6F)F)F
InChI
InChI=1S/C24H17F3N4O4/c25-13-8-15(27)16(9-14(13)26)29-24(33)31-21-20-12-7-10(1-3-17(12)35-22(20)21)34-18-5-6-28-23-11(18)2-4-19(32)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,30,32)(H2,29,31,33)/t20-,21-,22-/m0/s1
InChIKey
USMWOBMHNWNPAP-FKBYEOEOSA-N
Chemical Structure
2D Structure
2D structure of Brimarafenib
CAS: 1643326-82-2
CID: 117807031
Formula: C24H17F3N4O4
MW: 482.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass482.12018952
Monoisotopic Mass482.12018952
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-159508-01Brimarafenib
C03219-01BGB-3245 (Brimarafenib)

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