Atuveciclib (BAY-1143572) 100mg

CAT: 0628-A16810-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A16810-100Size:100 mg

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CAS Number

1414943-88-6

Chemical Information

Atuveciclib Racemate

Atuveciclib Racemate is atuveciclib (BAY-1143572) is a potent and highly selective PTEFb/CDK9 inhibitor with IC50 values of 13 nM for CDK9/CycT and the ratio of IC50 values for CDK2/CDK9 is about 100. Outside the CDK family, It inhibits GSK3 kinase with IC50 values of 45 nM and 87 nM for GSK3a and GSK3b respectively.

CAS Number	1414943-88-6
PubChem CID	71618220
IUPAC Name	4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
Molecular Formula	C18H18FN5O2S
Molecular Weight	387.4
XLogP	4
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	588

SMILES

COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)CS(=N)(=O)C

InChI

InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)

InChIKey

ACWKGTGIJRCOOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1414943-88-6

CID: 71618220

Formula: C18H18FN5O2S

MW: 387.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	387.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	387.11652417
Monoisotopic Mass	387.11652417
Topological Polar Surface Area	109 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	588
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
S8727-01	Atuveciclib (BAY-1143572)
T10464L-01	Atuveciclib
HY-12871A	(+) -Atuveciclib
HY-12871-01	Atuveciclib (Racemate)
MBS5752765	Atuveciclib Racemate
GTR19206497	(R) -Atuveciclib
HY-12871C-01	Atuveciclib S-Enantiomer

Atuveciclib (BAY-1143572) 100mg

Chemical Information

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