AG009CAD

Name: CDK9 inhibitor
Brand: Angene Chemical
SKU: AG009CAD

1415559-43-1 | CDK9 inhibitor

AG009CAD

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CAS Number	1415559-43-1
Catalog Number	AG009CAD
Chemical Name	CDK9 inhibitor
IUPAC Name	N-[5-[[6-[3-(1,3-dioxoisoindol-2-yl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
InChI	InChI=1S/C26H21N5O4S/c1-16-10-11-18(13-22(16)30-36(2,34)35)29-24-14-23(27-15-28-24)17-6-5-7-19(12-17)31-25(32)20-8-3-4-9-21(20)26(31)33/h3-15,30H,1-2H3,(H,27,28,29)
InChI Key	CKUFOBCNTCLXJP-UHFFFAOYSA-N
MDL Number	MFCD22124471
Molecular Formula	C26H21N5O4S
Molecular Weight	499.541
SMILES	CC1C=CC(NC2C=C(C3C=C(N4C(=O)C5C=CC=CC=5C4=O)C=CC=3)N=CN=2)=CC=1NS(=O)(=O)C
Synonyms	CDK9 inhibitor, CDK9-IN-1, 1415559-43-1, C26H21N5O4S, CHEMBL3392878, CHEBI:91444, DTXSID40735344, 3532AH, ZINC95641936, AKOS030526501, CS-0456, NCGC00346946-01, NCGC00346946-02, HY-13231, A3294, W-5866, N-[5-({6-[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]pyrimidin-4-yl}amino)-2-methylphenyl]methanesulfonamide, N-[5-[[6-[3-(1,3-dioxoisoindol-2-yl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide,

Complexity	900
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	499.131g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	499.545g/mol
Monoisotopic Mass	499.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited