AG01EO8Z

Name: CDK9 PROTAC compound 3
Brand: Angene Chemical
SKU: AG01EO8Z

2118356-96-8 | CDK9 PROTAC compound 3

AG01EO8Z

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CAS Number	2118356-96-8
Catalog Number	AG01EO8Z(AGN-PC-3H46AB)
Chemical Name	CDK9 PROTAC compound 3
IUPAC Name	N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentoxy]phenyl]acetamide
InChI	InChI=1S/C33H35N5O7/c39-28-15-14-25(31(41)35-28)38-32(42)23-8-5-9-26(30(23)33(38)43)45-17-3-1-2-16-44-22-12-10-20(11-13-22)18-29(40)34-27-19-24(36-37-27)21-6-4-7-21/h5,8-13,19,21,25H,1-4,6-7,14-18H2,(H,35,39,41)(H2,34,36,37,40)
InChI Key	WCEHIDWONYOKOJ-UHFFFAOYSA-N
MDL Number	MFCD31619245
Molecular Formula	C33H35N5O7
Molecular Weight	613.6603
SMILES	O=C(NC1=NNC(C2CCC2)=C1)CC3=CC=C(OCCCCCOC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)C=C3
Synonyms	CDK9-PROTAC, PROTAC CDK9 Degrader-1, 2118356-96-8, HY-103628, CS-0028478,

Complexity	1110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	613.254g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	613.671g/mol
Monoisotopic Mass	613.254g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	160A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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