CH6953755

CAT: 1568-C01776-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C01776-01Size:5 mg

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CAS Number

2055918-71-1

SKU

C01776-5mg

Target

Src

Applications

Protein Tyrosine Kinase

Additionnal Information

CH6953755 is a potent, orally active, and selective inhibitor of YES1 kinase with an IC50 of 1.8 nM. CH6953755 demonstrates antitumor activity against YES1 gene-amplified cancers.

Chemical Information

N-[2-[5-Amino-1-[6-(2,6-difluorophenoxy)-4-methylpyridin-3-yl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide

CAS Number	2055918-71-1
PubChem CID	124149825
IUPAC Name	N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
Molecular Formula	C26H22F2N6O4S
Molecular Weight	552.6
XLogP	4.6
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	39
Formal Charge	0
Complexity	978

SMILES

CC1=CC2=C(C=C1NS(=O)(=O)C)NC(=C2)C(=O)C3=C(N(N=C3)C4=CN=C(C=C4C)OC5=C(C=CC=C5F)F)N

InChI

InChI=1S/C26H22F2N6O4S/c1-13-7-15-9-21(32-20(15)10-19(13)33-39(3,36)37)24(35)16-11-31-34(26(16)29)22-12-30-23(8-14(22)2)38-25-17(27)5-4-6-18(25)28/h4-12,32-33H,29H2,1-3H3

InChIKey

YVXUHNOWRKWXSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2055918-71-1

CID: 124149825

Formula: C26H22F2N6O4S

MW: 552.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	552.6
XLogP3	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	552.13913070
Monoisotopic Mass	552.13913070
Topological Polar Surface Area	153 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	978
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
BA9012-50	CH6953755

CH6953755

Chemical Information

Alternative Products

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