AG01EO64

Name: PKC-theta inhibitor
Brand: Angene Chemical
SKU: AG01EO64

736048-65-0 | PKC-theta inhibitor

AG01EO64

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CAS Number	736048-65-0
Catalog Number	AG01EO64(AGN-PC-0U3ESJ)
Chemical Name	PKC-theta inhibitor
IUPAC Name	4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
InChI	InChI=1S/C20H25F3N6O3/c21-20(22,23)32-17-4-2-1-3-15(17)11-26-19-27-12-16(29(30)31)18(28-19)25-10-14-7-5-13(9-24)6-8-14/h1-4,12-14H,5-11,24H2,(H2,25,26,27,28)
InChI Key	HKOWATVSFKRXRW-UHFFFAOYSA-N
MDL Number	MFCD31715442
Molecular Formula	C20H25F3N6O3
Molecular Weight	454.4461
SMILES	O=N(C1=CN=C(NCC2=C(OC(F)(F)F)C=CC=C2)N=C1NCC3CCC(CN)CC3)=O
Synonyms	PKC-theta inhibitor, CHEMBL248183, SCHEMBL3953579, SCHEMBL6247960, BDBM50196972, HY-112681, CS-0062613, 736048-65-0, N2-(2-(trifluoromethoxy)benzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine, CID10253430, CID 10253430,

Complexity	586
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	454.194g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	454.454g/mol
Monoisotopic Mass	454.194g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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