CCT241161

CAT: 0931-T9638-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T9638-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1163719-91-2

Target

Raf, Apoptosis, Src

Related Pathways

Angiogenesis, Tyrosine Kinase/Adaptors, Apoptosis, MAPK

Purity

>99.99%

Bioactivity

CCT241161 is an orally active pan-RAF inhibitor, with IC50 values of 3, 6, 10, 15, and 30 nM for LCK, CRAF, SRC, V600E-BRAF, and BRAF, respectively. It exhibits significant activity against BRAF and NRAS mutant melanomas and demonstrates anticancer cell proliferative effects [1].

Smiles

N(C(NC1=C(SC)C=C(OC2=C3C(=NC=C2)NC(=O)C=N3)C=C1)=O)C=4N(N=C(C(C)(C)C)C4)C5=CC=CC=C5

Molecular Formula

C28H27N7O3S

Molecular Weight

541.62

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cct241161

CAS Number	1163719-91-2
PubChem CID	44132853
IUPAC Name	1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
Molecular Formula	C28H27N7O3S
Molecular Weight	541.6
XLogP	4.6
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	39
Formal Charge	0
Complexity	893

SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)SC)C5=CC=CC=C5

InChI

InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(H,29,33,36)(H2,31,32,37)

InChIKey

DPMYVVGAYAPQNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1163719-91-2

CID: 44132853

Formula: C28H27N7O3S

MW: 541.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	541.6
XLogP3	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	541.18960892
Monoisotopic Mass	541.18960892
Topological Polar Surface Area	148 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	893
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

Alternative Products

Catalog	Name
MBS3600563-01	CCT241161

CCT241161

Chemical Information

Alternative Products

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